General Information of the Compound
Compound ID
CP0232483
Compound Name
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
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Synonyms
(1S)-4-((S)-4-Acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one
(1m)-6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-(propan-2-yl)pyridin-3-yl)-4-((2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl)pyrido(2,3-d)pyrimidin-2(1H)-one
2252403-56-6
2296729-00-3
2296729-00-3 (racemate)
2296729-66-1
2B2VM6UC8G
4-((S)-4-Acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one
6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-((2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido(2,3-d)pyrimidin-2-one
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
AMG 510
AMG 510 pound>>AMG-510
AMG-510
AMG-510 racemate
AMG-510(racemate)
AMG510
AMG510
AMG510 racemate
AMY16918
BCP30452
BCP33368
BDBM50514402
BS-16684
CHEMBL4535757
CS-0081316
DB15569
EX-A3538
GTPL10678
HY-114277
Kras G12C inhibitor 9
Kras mutant-targeting AMG 510
NSC-818433
NSC818433
Pyrido(2,3-d)pyrimidin-2(1H)-one, 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-(1-methylethyl)-3-pyridinyl)-4-((2S)-2-methyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl)-
SCHEMBL20560375
Sotorasib
Sotorasib [INN]
Sotorasib [USAN]
UNII-2B2VM6UC8G
WHO 11370
compound (R)-38 [PMID: 31820981]
s8830
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Structure
Formula
C30H30F2N6O3
Molecular Weight
560.605
Canonical SMILES
CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F
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InChI
InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1
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InChIKey
NXQKSXLFSAEQCZ-SFHVURJKSA-N
CAS
2296729-00-3
Physicochemical Property
logP
4.48142
Rotatable Bonds
5
Heavy Atom Count
41
Polar Areas
104.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
41

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 137278711
ChEMBL ID
CHEMBL4535757
DrugBank ID
DB15569
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03462, GTPase KRas
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000268 NCI-H358
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 30 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9.66 nM
2 Ki = 12200 nM
3 Ki = 86000 nM
Clinical Information about the Compound
Drug 1 ( Sotorasib )
Drug Name Sotorasib
Company Amgen
Indication
Non-small-cell lung cancer
Approved
Non-small-cell lung cancer
Phase 3
Target(s)
KRAS G12C mutant (KRAS G12C)
 Target Info 
Inhibitor