APG115

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Synonyms
Status
Molecule Category Free-form
UNII 15QAU0SI9J

Structure

InChI Key YJCZPJQGFSSFOL-MNZPCBJKSA-N
Smiles CCN1[C@@H](C(=O)NC23CCC(C(=O)O)(CC2)CC3)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C12CCCCC2
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H38Cl2FN3O4
Molecular Weight 642.6
AlogP 6.81
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 98.74
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 44.0

Pharmacology

Mechanism of Action Action Reference
Tumour suppressor p53/oncoprotein Mdm2 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other nuclear protein
- 3.8 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.8-104 - - -

Target Conservation

Protein: Tumour suppressor p53/oncoprotein Mdm2
Description: Cellular tumor antigen p53
Organism : Homo sapiens
P04637 ENSG00000141510
Protein: Tumour suppressor p53/oncoprotein Mdm2
Description: E3 ubiquitin-protein ligase Mdm2
Organism : Homo sapiens
Q00987 ENSG00000135679

Cross References

Resources Reference
ChEMBL CHEMBL4091801
FDA SRS 15QAU0SI9J
SureChEMBL SCHEMBL17189805
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