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Details

Stereochemistry ACHIRAL
Molecular Formula C24H20ClN5O.ClH
Molecular Weight 466.362
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Chloromethyl)-N-4-methyl-3-[(4-(3-pyridinyl)-2-pyrimidinyl)amino]phenylbenzamide hydrochloride

SMILES

Cl.CC1=C(NC2=NC(=CC=N2)C3=CN=CC=C3)C=C(NC(=O)C4=CC=C(CCl)C=C4)C=C1

InChI

InChIKey=YVMNDFNKTZBUSR-UHFFFAOYSA-N
InChI=1S/C24H20ClN5O.ClH/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19;/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30);1H

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
245.0 nM [IC50]
139.0 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Cysteine mapping in conformationally distinct kinase nucleotide binding sites: application to the design of selective covalent inhibitors.
2011-03-10
Name Type Language
Benzamide, 4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, hydrochloride (1:1)
Preferred Name English
4-(Chloromethyl)-N-4-methyl-3-[(4-(3-pyridinyl)-2-pyrimidinyl)amino]phenylbenzamide hydrochloride
Systematic Name English
Benzamide, 4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, monohydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
22022851
Created by admin on Wed Apr 02 19:14:07 GMT 2025 , Edited by admin on Wed Apr 02 19:14:07 GMT 2025
PRIMARY
FDA UNII
ED9EB23CTZ
Created by admin on Wed Apr 02 19:14:07 GMT 2025 , Edited by admin on Wed Apr 02 19:14:07 GMT 2025
PRIMARY
CAS
404844-10-6
Created by admin on Wed Apr 02 19:14:07 GMT 2025 , Edited by admin on Wed Apr 02 19:14:07 GMT 2025
PRIMARY