Structure

InChI Key HNFMVVHMKGFCMB-UHFFFAOYSA-N
Smile Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H24N6
Molecular Weight 432.53
AlogP 5.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 95.64
Molecular species BASE
Aromatic Rings 5.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase AKT inhibitor PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Proteus Syndrome 2 D016715 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Endometrial Neoplasms 1 D016889 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297188
DrugBank DB14982
FDA SRS T1DQI1B52Y
Guide to Pharmacology 9429
PDB 6S1
PubChem 53262401
SureChEMBL SCHEMBL2187875
ZINC ZINC000072315647