MIRANSERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: T1DQI1B52Y

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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 20000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 15000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 20000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 8000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 15000 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- 1.3-5 - - -
Enzyme Transferase
- - - - 112.37-119.61
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -10.1-0.11

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
CONTENTS