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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19N5O3S
Molecular Weight 385.44
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DENIBULIN

SMILES

COC(=O)NC1=NC2=C(N1)C=C(SC3=CC=C(NC(=O)[C@H](C)N)C=C3)C=C2

InChI

InChIKey=GAOHLWCIAJNSEE-JTQLQIEISA-N
InChI=1S/C18H19N5O3S/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19N5O3S
Molecular Weight 385.44
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:55:16 UTC 2023
Edited
by admin
on Sat Dec 16 16:55:16 UTC 2023
Record UNII
K7037M241U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DENIBULIN
INN   WHO-DD  
INN  
Official Name English
CARBAMIC ACID, (6-((4-(((2S)-2-AMINO-1-OXOPROPYL)AMINO)PHENYL)THIO)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER
Common Name English
Denibulin [WHO-DD]
Common Name English
METHYL (5-((4-(L-ALANYLAMINO)PHENYL)THIO)-1H-BENZIMIDAZOL-2-YL)CARBAMATE
Systematic Name English
denibulin [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C67421
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C77065
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
CAS
284019-34-7
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
SMS_ID
300000037042
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
MESH
C506648
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID90182627
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
PUBCHEM
11661758
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
DRUG BANK
DB05932
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
FDA UNII
K7037M241U
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111088
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
INN
8748
Created by admin on Sat Dec 16 16:55:16 UTC 2023 , Edited by admin on Sat Dec 16 16:55:16 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY