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Details

Stereochemistry MIXED
Molecular Formula C23H25ClN2O
Molecular Weight 380.91
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OPAGANIB

SMILES

ClC1=CC=C(C=C1)C23CC4CC(CC(C4)(C2)C(=O)NCC5=CC=NC=C5)C3

InChI

InChIKey=CAOTVXGYTWCKQE-UHFFFAOYSA-N
InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)

HIDE SMILES / InChI
Molecular Formula C23H25ClN2O
Molecular Weight 380.91
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:52:44 UTC 2023
Edited
by admin
on Fri Dec 15 19:52:44 UTC 2023
Record UNII
DRG21OQ517
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OPAGANIB
INN  
Official Name English
opaganib [INN]
Common Name English
ABC294640
Common Name English
4-PYRIDINYLMETHYL 3(4-CHLOROPHENYL)ADAMANTINE CARBOXAMIDE
Common Name English
4-PYRIDINYLMETHYL-3-(4-CHLOROPHENYL) ADAMANTANE CARBOXAMIDE
Common Name English
TRICYCLO(3.3.1.13,7)DECANE-1-CARBOXAMIDE, 3-(4-CHLOROPHENYL)-N-(4-PYRIDINYLMETHYL)-
Systematic Name English
Opaganib [WHO-DD]
Common Name English
ABC 294640
Code English
ABC-294640
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 318110
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
NCI_THESAURUS C1404
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
FDA ORPHAN DRUG 559116
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C98278
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
DRUG BANK
DB12764
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
INN
10561
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
WIKIPEDIA
Opaganib
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
CAS
915385-81-8
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
SMS_ID
300000021745
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
MESH
C548780
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID801318727
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
FDA UNII
DRG21OQ517
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
PUBCHEM
15604015
Created by admin on Fri Dec 15 19:52:44 UTC 2023 , Edited by admin on Fri Dec 15 19:52:44 UTC 2023
PRIMARY
Related Record Type Details
Structure of OPAGANIB HYDROCHLORIDE
SALT/SOLVATE -> PARENT
SPHINGOSINE KINASE 2
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
Ki
Related Record Type Details
Structure of OPAGANIB
ACTIVE MOIETY
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