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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19N3O
Molecular Weight 317.3844
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OBATOCLAX

SMILES

COC1=CC(=N\C1=C/C2=C(C)C=C(C)N2)C3=CC4=CC=CC=C4N3

InChI

InChIKey=RFTSSZJZXOSICM-GRSHGNNSSA-N
InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10-

HIDE SMILES / InChI

Molecular Formula C20H19N3O
Molecular Weight 317.3844
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:36:40 UTC 2023
Edited
by admin
on Fri Dec 15 16:36:40 UTC 2023
Record UNII
QN4128B52A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OBATOCLAX
INN   WHO-DD  
INN  
Official Name English
1H-INDOLE, 2-(2-((3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLENE)-3-METHOXY-2H-PYRROL-5-YL)-
Systematic Name English
Obatoclax [WHO-DD]
Common Name English
obatoclax [INN]
Common Name English
GX15-070
Code English
2-(2-((3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLENE)-3-METHOXY-2H-PYRROL-5-YL)-1H-INDOLE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C274
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
Code System Code Type Description
WIKIPEDIA
OBATOCLAX
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
CAS
803712-67-6
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
NCI_THESAURUS
C60770
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
SMS_ID
100000156761
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
FDA UNII
QN4128B52A
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL408194
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
INN
8691
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
DRUG BANK
DB12191
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
MESH
C520962
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
EVMPD
SUB130783
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID701029688
Created by admin on Fri Dec 15 16:36:40 UTC 2023 , Edited by admin on Fri Dec 15 16:36:40 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY