U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C26H27Cl2N5O2
Molecular Weight 512.431
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(2,6-Dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one

SMILES

CCN(CC)CCOC1=CC=C(NC2=NC3=C(C=N2)C=C(C(=O)N3C)C4=C(Cl)C=CC=C4Cl)C=C1

InChI

InChIKey=IFPPYSWJNWHOLQ-UHFFFAOYSA-N
InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C26H27Cl2N5O2
Molecular Weight 512.431
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P12931
Gene ID: 6714.0
Gene Symbol: SRC
Target Organism: Homo sapiens (Human)
8.4 nM [IC50]
Target ID: P11362|||Q14307|||Q9UDF2
Gene ID: 2260.0
Gene Symbol: FGFR1
Target Organism: Homo sapiens (Human)
39.3 nM [IC50]
Target ID: P00533|||Q9GZX1
Gene ID: 1956.0
Gene Symbol: EGFR
Target Organism: Homo sapiens (Human)
87.5 nM [IC50]
Target ID: P09619
Gene ID: 5159.0
Gene Symbol: PDGFRB
Target Organism: Homo sapiens (Human)
98.3 nM [IC50]
Substance Class Chemical
Created
by admin
on Tue Apr 01 16:22:02 GMT 2025
Edited
by admin
on Tue Apr 01 16:22:02 GMT 2025
Record UNII
F2UH9R2JT6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(2,6-Dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Systematic Name English
PD-0166285
Preferred Name English
TCMDC-140940
Code English
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-8-methyl-
Systematic Name English
PD166285
Code English
PD-166285
Code English
Code System Code Type Description
FDA UNII
F2UH9R2JT6
Created by admin on Tue Apr 01 16:22:02 GMT 2025 , Edited by admin on Tue Apr 01 16:22:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID501019043
Created by admin on Tue Apr 01 16:22:02 GMT 2025 , Edited by admin on Tue Apr 01 16:22:02 GMT 2025
PRIMARY
PUBCHEM
5311382
Created by admin on Tue Apr 01 16:22:02 GMT 2025 , Edited by admin on Tue Apr 01 16:22:02 GMT 2025
PRIMARY
CAS
185039-89-8
Created by admin on Tue Apr 01 16:22:02 GMT 2025 , Edited by admin on Tue Apr 01 16:22:02 GMT 2025
PRIMARY
ChEMBL
CHEMBL49120
Created by admin on Tue Apr 01 16:22:02 GMT 2025 , Edited by admin on Tue Apr 01 16:22:02 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR