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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27Cl2FN6O3
Molecular Weight 561.4362
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENSARTINIB

SMILES

C[C@]1([H])CN(C[C@]([H])(C)N1)C(=O)c2ccc(cc2)NC(=O)c3cc(c(N)nn3)O[C@]([H])(C)c4c(ccc(c4Cl)F)Cl

InChI

InChIKey=GLYMPHUVMRFTFV-QLFBSQMISA-N
InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.400000000000000022 nM [IC50]
0.739999999999999991 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Name Type Language
ENSARTINIB
INN   WHO-DD  
INN   USAN  
Official Name English
ENSARTINIB [USAN]
Common Name English
ENSARTINIB [INN]
Common Name English
X-396
Code English
6-AMINO-5-((1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)- N-(4-((3R,5S)-3,5-DIMETHYLPIPERAZINE- 1-CARBONYL)PHENYL)PYRIDAZINE-3-CARBOXAMIDE
Systematic Name English
ENSARTINIB [WHO-DD]
Common Name English
3-PYRIDAZINECARBOXAMIDE, 6-AMINO-5-((1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)-N-(4-(((3R,5S)-3,5-DIMETHYL-1-PIPERAZINYL)CARBONYL)PHENYL)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Sat Jun 26 12:39:56 UTC 2021 , Edited by admin on Sat Jun 26 12:39:56 UTC 2021
NCI_THESAURUS C141136
Created by admin on Sat Jun 26 12:39:56 UTC 2021 , Edited by admin on Sat Jun 26 12:39:56 UTC 2021
Code System Code Type Description
CAS
1370651-20-9
Created by admin on Sat Jun 26 12:39:56 UTC 2021 , Edited by admin on Sat Jun 26 12:39:56 UTC 2021
PRIMARY
PUBCHEM
56960363
Created by admin on Sat Jun 26 12:39:56 UTC 2021 , Edited by admin on Sat Jun 26 12:39:56 UTC 2021
PRIMARY
DRUG BANK
DB14860
Created by admin on Sat Jun 26 12:39:56 UTC 2021 , Edited by admin on Sat Jun 26 12:39:56 UTC 2021
PRIMARY
INN
10339
Created by admin on Sat Jun 26 12:39:56 UTC 2021 , Edited by admin on Sat Jun 26 12:39:56 UTC 2021
PRIMARY
NCI_THESAURUS
C102754
Created by admin on Sat Jun 26 12:39:56 UTC 2021 , Edited by admin on Sat Jun 26 12:39:56 UTC 2021
PRIMARY
FDA UNII
SMA5ZS5B22
Created by admin on Sat Jun 26 12:39:56 UTC 2021 , Edited by admin on Sat Jun 26 12:39:56 UTC 2021
PRIMARY