General
Preferred name
K-Ras inhibitor
Synonyms
6H05 trifluoroacetate ()
6H05 (TFA) ()
6H05 TFA ()
6H05 ()
6H05 (trifluoroacetate salt) ()
P&D ID
PD051237
CAS
2061344-88-3
Tags
available
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 This compound exists in the trifluoroacetic acid form (PubChem CID 86208069). 6H05 is a selective allosteric inhibitor of oncogenic KRASG12C . 6H05 was used as the reference compound in the development of , and . (GtoPdb)
DESCRIPTION 6H05 is a selective, and allosteric inhibitor of oncogenic K-Ras(G12C). (BOC Sciences Bioactive Compounds)
Compound Sets
6
BOC Sciences Bioactive Compounds
6h05-cas-2061344-88-3-292048
Cayman Chemical Bioactives
17985
Guide to Pharmacology
8023
MedChem Express Bioactive Compound Library
HY-12408A
Selleckchem Bioactive Compound Library
6h05
TargetMol Bioactive Compound Library
T7326
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
475.12
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
11
Ring Count
2
Aromatic Ring Count
1
cLogP
3.73
TPSA
52.65
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Ras
KRAS G12C
K-Ras(G12C)
Pathway
GPCR/G protein
MAPK
MAPK/ERK Pathway
MOA
Raf inhibitor
Source data