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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N3O4
Molecular Weight 379.4091
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-373420

SMILES

COCCOC1=CC2=C(C=C1OCCO)C(NC3=CC(=CC=C3)C#C)=NC=N2

InChI

InChIKey=KOQIAZNBAWFSQM-UHFFFAOYSA-N
InChI=1S/C21H21N3O4/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C21H21N3O4
Molecular Weight 379.4091
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: P00533|||Q9GZX1
Gene ID: 1956.0
Gene Symbol: EGFR
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:39 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:39 GMT 2023
Record UNII
X78J9Z28DQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-373420
Common Name English
OSI-420
Common Name English
ETHANOL, 2-((4-((3-ETHYNYLPHENYL)AMINO)-7-(2-METHOXYETHOXY)-6-QUINAZOLINYL)OXY)-
Systematic Name English
2-(4-(3-ETHYNYLANILINO)-7-(2-METHOXYETHOXY)QUINAZOLIN-6-YL)OXYETHANOL
Systematic Name English
ERLOTINIB METABOLITE M14
Common Name English
Code System Code Type Description
PUBCHEM
10317566
Created by admin on Sat Dec 16 09:27:40 GMT 2023 , Edited by admin on Sat Dec 16 09:27:40 GMT 2023
PRIMARY
FDA UNII
X78J9Z28DQ
Created by admin on Sat Dec 16 09:27:40 GMT 2023 , Edited by admin on Sat Dec 16 09:27:40 GMT 2023
PRIMARY
CAS
183321-86-0
Created by admin on Sat Dec 16 09:27:40 GMT 2023 , Edited by admin on Sat Dec 16 09:27:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID10939711
Created by admin on Sat Dec 16 09:27:40 GMT 2023 , Edited by admin on Sat Dec 16 09:27:40 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MAJOR