miransertib   Click here for help

GtoPdb Ligand ID: 9429

Synonyms: ARQ 092 | ARQ-092 | compound 21a [PMID: 27305487]
PDB Ligand
Compound class: Synthetic organic
Comment: Miransertib (ARQ-092) is an orally active, selective, and potent allosteric AKT inhibitor [1], being developed for antineoplastic potential.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 95.12
Molecular weight 432.21
XLogP 5.08
No. Lipinski's rules broken 1
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Canonical SMILES Nc1ncccc1c1nc2c(n1c1ccc(cc1)C1(N)CCC1)nc(cc2)c1ccccc1
Isomeric SMILES Nc1ncccc1c1nc2c(n1c1ccc(cc1)C1(N)CCC1)nc(cc2)c1ccccc1
InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10490 miransertib
Synonyms Click here for help
ARQ 092 | ARQ-092 | compound 21a [PMID: 27305487]
Database Links Click here for help
GtoPdb PubChem SID 328083529
PubChem CID 53262401
RCSB PDB Ligand 6S1
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UniChem Compound Search for chemical match using the InChIKey HNFMVVHMKGFCMB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HNFMVVHMKGFCMB-UHFFFAOYSA-N