General
Preferred name
DIVARASIB
Synonyms
GDC-6036 ()
DIVARASIB ADIPATE ()
RO-7435846 ()
RO7435846 ()
Gdc 6036 ()
RG-6330 ()
RG6330 ()
RO-7435846 ADIPATE ()
RO7435846 ADIPATE ()
RG6330 ADIPATE ()
GDC-6036 ADIPATE ()
RG-6330 ADIPATE ()
P&D ID
PD166262
CAS
2417987-45-0
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
1.0
Drug indication
Neoplasm
non-small cell lung carcinoma
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION GDC-6036 is an oral, covalent inhibitor that targets oncogenic KRASG12C . Inhibitor binding locks KRASG12C into its inactive GDP-bound state. GDC-6036's chemical structure was revealed at the AACR spring meeting in 2022. The structure is claimed i patent US11236068B2 , and provides the chemical name 1-((S)-4-((R)-7-(6-Amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-1- methylpyrrolidin-2-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)prop-2-en-1-one (adipiate salt). We matched GDC-6036's chemical structure to the INN 'divarasib' which was published in the WHO's proposed INN list 127 on 21 July 2022. (GtoPdb)
DESCRIPTION Divarasib (GDC-6036) is an orally bioavailable, highly potent, and selective KRAS G12C inhibitor with an IC50 of <0.01 ¦ÌM. Divarasib covalently binds to the switch II (SW-II) pocket of KRAS G12C and irreversibly locks it in the inactive GDP-bound state.
PRICE 942
DESCRIPTION Divarasib (GDC-6036) (GDC-6036) is an investigational, oral, high-potency and selective KRAS G12C inhibitor with an IC50 of < 0.01 ??M. Divarasib irreversibly locks KRAS G12C oncoprotein in an inactive state and inhibits tumor cell growth. It is being investigated for use in solid tumors, including non-small cell lung and colorectal cancers and other types of cancer.
DESCRIPTION Divarasib (GDC-6036) (GDC-6036) is an investigational, oral, high-potency and selective KRAS G12C inhibitor with an IC50 of < 0.01 μM. Divarasib irreversibly locks KRAS G12C oncoprotein in an inactive state and inhibits tumor cell growth. It is being investigated for use in solid tumors, including non-small cell lung and colorectal cancers and other types of cancer. (TargetMol Bioactive Compound Library)
Compound Sets
4
ChEMBL Drugs
CHEMBL5095236
CHEMBL5314604
Guide to Pharmacology
11963
MedChem Express Bioactive Compound Library
HY-145928
TargetMol Bioactive Compound Library
T9972
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
621.22
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
5.09
TPSA
100.71
Fraction CSP3
0.45
Chiral centers
2.0
Largest ring
6.0
QED
0.3
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
KRAS G12C
Ras
Pathway
GPCR/G protein
MAPK
MAPK/ERK Pathway
Source data