Delta-2-Albomycin A1
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Identification
- Generic Name
- Delta-2-Albomycin A1
- DrugBank Accession Number
- DB02724
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 1045.828
Monoisotopic: 1045.298390903 - Chemical Formula
- C37H57FeN12O18S
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UIron(3+)-hydroxamate-binding protein FhuD Not Available Escherichia coli (strain K12) UFerrichrome-iron receptor Not Available Escherichia coli (strain K12) - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- RQZRKFJHRUDTLB-OOXACHQASA-N
- InChI
- InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24-;/t20-,21-,22+,23+,25-,26-,27+,28+,29-,34-;/m1./s1
- IUPAC Name
- (8S,11R,14R)-14-amino-8-{[(1S)-1-{[(1R,2R)-2-[(2R,3S,4S,5R)-5-[(4Z)-4-(carbamoylimino)-3-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-1-yl]-3,4-dihydroxythiolan-2-yl]-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3,19,22-trimethyl-10,13-dioxo-2lambda4,20lambda4,21lambda4,27,28,29-hexaoxa-4,9,12,18,23-pentaaza-1-ferrapentacyclo[9.9.6.1^{1,4}.1^{1,18}.1^{1,23}]nonacosa-2,19,21-triene-2,20,21-tris(ylium)-1,1,1-triuide
- SMILES
- O1N2C(=[O+][Fe-3]1134ON(C(=[O+]1)C)CCC[C@](C(=O)N[C@@](C(=O)N[C@@](C(O)=O)([C@@]([C@]1(S[C@@](N5C=C\C(=N\C(N)=O)N(C5=O)C)([C@@]([C@]1([H])O)([H])O)[H])[H])([H])O)[H])([H])CO)([H])NC([C@@]([H])(CCCN(O3)C(=[O+]4)C)NC([C@]([H])(N)CCC2)=O)=O)C
References
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP -10 Chemaxon pKa (Strongest Acidic) 3.09 Chemaxon pKa (Strongest Basic) 8.13 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 23 Chemaxon Hydrogen Donor Count 11 Chemaxon Polar Surface Area 479.47 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 261.23 m3·mol-1 Chemaxon Polarizability 98.69 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.9345 Blood Brain Barrier - 0.9156 Caco-2 permeable - 0.6328 P-glycoprotein substrate Substrate 0.7014 P-glycoprotein inhibitor I Non-inhibitor 0.9155 P-glycoprotein inhibitor II Non-inhibitor 0.9811 Renal organic cation transporter Non-inhibitor 0.9368 CYP450 2C9 substrate Non-substrate 0.7632 CYP450 2D6 substrate Non-substrate 0.8065 CYP450 3A4 substrate Substrate 0.5405 CYP450 1A2 substrate Non-inhibitor 0.7466 CYP450 2C9 inhibitor Non-inhibitor 0.7072 CYP450 2D6 inhibitor Non-inhibitor 0.8431 CYP450 2C19 inhibitor Non-inhibitor 0.6979 CYP450 3A4 inhibitor Non-inhibitor 0.6496 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9358 Ames test Non AMES toxic 0.5 Carcinogenicity Non-carcinogens 0.7973 Biodegradation Not ready biodegradable 0.7946 Rat acute toxicity 2.5934 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9904 hERG inhibition (predictor II) Non-inhibitor 0.5439
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Part of the ABC transporter complex FhuCDB involved in iron(3+)-hydroxamate import. Binds the iron(3+)-hydroxamate complex and transfers it to the membrane-bound permease. Required for the transpor...
- Gene Name
- fhuD
- Uniprot ID
- P07822
- Uniprot Name
- Iron(3+)-hydroxamate-binding protein FhuD
- Molecular Weight
- 32997.965 Da
References
2. DetailsFerrichrome-iron receptor
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Virion binding
- Specific Function
- This receptor binds the ferrichrome-iron ligand. It interacts with the TonB protein, which is responsible for energy coupling of the ferrichrome-promoted iron transport system. Acts as a receptor f...
- Gene Name
- fhuA
- Uniprot ID
- P06971
- Uniprot Name
- Ferrichrome-iron receptor
- Molecular Weight
- 82181.75 Da
References
Drug created at June 13, 2005 13:24 / Updated at August 01, 2020 13:45