NAV

Alrizomadlin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Alrizomadlin
DrugBank Accession Number
DB17549
Background

Alrizomadlin is a novel MDM2 inhibitor that blocks the interaction of MDM2 and p53. It is being investigated in cancers.1,2

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 642.59
Monoisotopic: 641.2223403
Chemical Formula
C34H38Cl2FN3O4
Synonyms
  • (3'r,4's,5'r)-4-((6-chloro-2-oxo-1,2-dihydro-spiro(indole-3,3'-pyrrolidin)e-4'-(3-chloro-2-fluoro -phenyl)-1'-ethyl-spiro(cyclohexane-1,2'-pyrrolidine)-5'-carbonyl)-amino)-bicyclo(2.2.2)octane-1-carboxylic acid
  • 4-((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)bicyclo [2.2.2]octane-1-carboxylic acid
  • Bicyclo(2.2.2)octane-1-carboxylic acid, 4-((((3'r,4's,5'r)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-1'',2''-dihydro-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3h)indol)-5'-yl)carbonyl)amino)-
External IDs
  • AA-115
  • APG 115
  • APG-115
  • APG115
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
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
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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
15QAU0SI9J
CAS number
1818393-16-6
InChI Key
YJCZPJQGFSSFOL-MNZPCBJKSA-N
InChI
InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1
IUPAC Name
4-{[(3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-5'-yl]amido}bicyclo[2.2.2]octane-1-carboxylic acid
SMILES
CCN1[C@H]([C@H](C2=CC=CC(Cl)=C2F)[C@]2(C(=O)NC3=CC(Cl)=CC=C23)C11CCCCC1)C(=O)NC12CCC(CC1)(CC2)C(O)=O

References

General References
  1. Yi H, Yan X, Luo Q, Yuan L, Li B, Pan W, Zhang L, Chen H, Wang J, Zhang Y, Zhai Y, Qiu MZ, Yang DJ: A novel small molecule inhibitor of MDM2-p53 (APG-115) enhances radiosensitivity of gastric adenocarcinoma. J Exp Clin Cancer Res. 2018 May 2;37(1):97. doi: 10.1186/s13046-018-0765-8. [Article]
  2. Fang DD, Tang Q, Kong Y, Rong T, Wang Q, Li N, Fang X, Gu J, Xiong D, Yin Y, Deng J, Yang D, Zhai Y: MDM2 inhibitor APG-115 exerts potent antitumor activity and synergizes with standard-of-care agents in preclinical acute myeloid leukemia models. Cell Death Discov. 2021 May 3;7(1):90. doi: 10.1038/s41420-021-00465-5. [Article]
ChemSpider
64853887
BindingDB
50237739
ChEMBL
CHEMBL4091801

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentT-cell Prolymphocytic Leukemia (T-PLL)1
1CompletedTreatmentPatients With Advanced Solid Tumor or Lymphoma1
1RecruitingTreatmentAcute Myeloid Leukemia / Myelodysplastic Syndrome1
1RecruitingTreatmentNeuroblastoma (NB) / Solid Tumors1
1, 2RecruitingTreatmentAcute Myeloid Leukemia / Chronic Myelomonocytic Leukemia / High-risk Myelodysplastic Syndrome (MDS) / Myelodysplastic Syndrome1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00128 mg/mLALOGPS
logP4.63ALOGPS
logP3.9Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)3.69Chemaxon
pKa (Strongest Basic)8.42Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area98.74 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity167.54 m3·mol-1Chemaxon
Polarizability66.01 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at February 15, 2023 22:50 / Updated at September 26, 2023 22:59