This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

Drug	Interaction
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Alendronic acid	The risk or severity of jaw osteonecrosis and anti-angiogenesis can be increased when Fumagillin is combined with Alendronic acid.
Ambroxol	The risk or severity of methemoglobinemia can be increased when Fumagillin is combined with Ambroxol.
Articaine	The risk or severity of methemoglobinemia can be increased when Fumagillin is combined with Articaine.
Benzocaine	The risk or severity of methemoglobinemia can be increased when Fumagillin is combined with Benzocaine.
Benzyl alcohol	The risk or severity of methemoglobinemia can be increased when Fumagillin is combined with Benzyl alcohol.

Food Interactions

Not Available

Products

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International/Other Brands: Flisint (Sanofi) / Fugillin (Upjohn) / Furnidil (Abbott)

Chemical Identifiers

UNII: 7OW73204U1
CAS number: 23110-15-8
InChI Key: NGGMYCMLYOUNGM-CSDLUJIJSA-N
InChI: InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
IUPAC Name: (2E,4E,6E,8E)-10-{[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy}-10-oxodeca-2,4,6,8-tetraenoic acid
SMILES: CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O

References

Synthesis Reference

Peterson, M.H., Goldstein, A.W. and Denison, F.W. Jr.; U.S. Patent 2,803,586; August 20, 1957; assigned to Abbott Laboratories.

General References

Not Available

External Links

KEGG Compound: C09668
PubChem Compound: 6917655
PubChem Substance: 46505331
ChemSpider: 5292885
BindingDB: 50113436
ChEBI: 48635
ChEMBL: CHEMBL32838
ZINC: ZINC000004098264
Therapeutic Targets Database: DNC000664
PDBe Ligand: FUG
Wikipedia: Fumagillin

Clinical Trials

Clinical Trials Clinical Trial & Rare Diseases Add-on Data Package Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package

Phase	Status	Purpose	Conditions	Count	Start Date	Why Stopped	100+ additional columns
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Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Solid

Experimental Properties

Property	Value	Source
melting point (°C)	190-192	Peterson, M.H., Goldstein, A.W. and Denison, F.W. Jr.; U.S. Patent 2,803,586; August 20, 1957; assigned to Abbott Laboratories.

Predicted Properties

Property	Value	Source
Water Solubility	0.0033 mg/mL	ALOGPS
logP	4.61	ALOGPS
logP	4.05	Chemaxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	4.88	Chemaxon
pKa (Strongest Basic)	-3.7	Chemaxon
Physiological Charge	-1	Chemaxon
Hydrogen Acceptor Count	6	Chemaxon
Hydrogen Donor Count	1	Chemaxon
Polar Surface Area	97.89 Å²	Chemaxon
Rotatable Bond Count	11	Chemaxon
Refractivity	128.37 m³·mol^-1	Chemaxon
Polarizability	51.13 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Property	Value	Probability
Human Intestinal Absorption	+	0.907
Blood Brain Barrier	-	0.5281
Caco-2 permeable	-	0.578
P-glycoprotein substrate	Substrate	0.7621
P-glycoprotein inhibitor I	Inhibitor	0.5957
P-glycoprotein inhibitor II	Inhibitor	0.8966
Renal organic cation transporter	Non-inhibitor	0.9216
CYP450 2C9 substrate	Non-substrate	0.8485
CYP450 2D6 substrate	Non-substrate	0.8869
CYP450 3A4 substrate	Substrate	0.639
CYP450 1A2 substrate	Non-inhibitor	0.8839
CYP450 2C9 inhibitor	Non-inhibitor	0.7431
CYP450 2D6 inhibitor	Non-inhibitor	0.9299
CYP450 2C19 inhibitor	Non-inhibitor	0.7701
CYP450 3A4 inhibitor	Non-inhibitor	0.7188
CYP450 inhibitory promiscuity	Low CYP Inhibitory Promiscuity	0.9386
Ames test	AMES toxic	0.6248
Carcinogenicity	Non-carcinogens	0.9203
Biodegradation	Not ready biodegradable	0.8205
Rat acute toxicity	2.7268 LD50, mol/kg	Not applicable
hERG inhibition (predictor I)	Weak inhibitor	0.9914
hERG inhibition (predictor II)	Non-inhibitor	0.9147

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kf-0120900000-6242e5e5fc33fa9d1198
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01pk-0902500000-10fd1d98f3f3aecc912b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001j-1923200000-5fffcc2fd23546287254
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05mp-1513900000-54a135545a3416a2a89c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-007a-1954100000-33df0b0325fa30bfd2f3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-1900100000-8e5ec327221ff6e42b2d
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	248.2091933	predicted	DarkChem Lite v0.1.0
[M-H]-	259.8984046	predicted	DarkChem Lite v0.1.0
[M-H]-	263.7745046	predicted	DarkChem Lite v0.1.0
[M-H]-	209.57625	predicted	DeepCCS 1.0 (2019)
[M+H]+	244.4569097	predicted	DarkChem Lite v0.1.0
[M+H]+	260.2714046	predicted	DarkChem Lite v0.1.0
[M+H]+	265.0598046	predicted	DarkChem Lite v0.1.0
[M+H]+	211.47166	predicted	DeepCCS 1.0 (2019)
[M+Na]+	245.8557046	predicted	DarkChem Lite v0.1.0
[M+Na]+	260.7484046	predicted	DarkChem Lite v0.1.0
[M+Na]+	217.22737	predicted	DeepCCS 1.0 (2019)

Targets

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Details1. Methionine aminopeptidase 2

Kind: Protein
Organism: Humans
Pharmacological action: Unknown
Actions: Ligand

General Function: Cotranslationally removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, Ser, Thr, or Val). The catalytic activity of human METAP2 toward Met-Val peptides is consistently two orders of magnitude higher than that of METAP1, suggesting that it is responsible for processing proteins containing N-terminal Met-Val and Met-Thr sequences in vivo
Specific Function: aminopeptidase activity
Gene Name: METAP2
Uniprot ID: P50579
Uniprot Name: Methionine aminopeptidase 2
Molecular Weight: 52891.145 Da

References

Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [Article]

Drug created at June 13, 2005 13:24 / Updated at February 21, 2021 18:51

Fumagillin

Identification

Structure for Fumagillin (DB02640)

Pharmacology

Interactions

Products

Categories

Chemical Identifiers

References

Clinical Trials

Clinical Trial & Rare Diseases Add-on Data Package

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)

Targets

References