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Compound Detail

CHEMBL5813811

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Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cn(C3(C)CC3)c(=O)c(C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5813811
Phase Preclinical
Structure Type MOL
InChI Key JUBMDAWPXHPIIG-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
5.17
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F3N4O
MW 416.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SOS1-KRAS
CHEMBL5465393
 IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SOS1-KRAS IC50 = 5.0 nM 8.3 TBDAlphaScreen Binding Assay: Compounds are diluted to a final start concentrati... -

Data from ChEMBL 36 via Core Engine