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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28N4O5
Molecular Weight 416.4708
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADERBASIB

SMILES

COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NO

InChI

InChIKey=DJXMSZSZEIKLQZ-IRXDYDNUSA-N
InChI=1S/C21H28N4O5/c1-30-20(28)25-14-21(7-8-21)13-16(18(26)22-29)17(25)19(27)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,29H,7-14H2,1H3,(H,22,26)/t16-,17-/m0/s1

HIDE SMILES / InChI
Molecular Formula C21H28N4O5
Molecular Weight 416.4708
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:37 UTC 2023
Edited
by admin
on Fri Dec 15 15:32:37 UTC 2023
Record UNII
V9YL6NEJ3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADERBASIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
INCB-007839
Code English
INCB007839
Code English
aderbasib [INN]
Common Name English
Aderbasib [WHO-DD]
Common Name English
5-AZASPIRO(2.5)OCTANE-5-CARBOXYLIC ACID, 7-((HYDROXYAMINO)CARBONYL)-6-((4-PHENYL-1-PIPERAZINYL)CARBONYL)-, METHYL ESTER, (6S,7S)-
Common Name English
Methyl (6S,7S)-7-[(hydroxyamino)carbonyl]-6-[(4-phenylpiperazin-1-yl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate
Systematic Name English
ADERBASIB [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
Code System Code Type Description
INN
9008
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
FDA UNII
V9YL6NEJ3G
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
NCI_THESAURUS
C76115
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
SMS_ID
100000176281
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
CAS
791828-58-5
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103790
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
PUBCHEM
16070111
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
WIKIPEDIA
Aderbasib
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
USAN
SS-18
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID701000327
Created by admin on Fri Dec 15 15:32:37 UTC 2023 , Edited by admin on Fri Dec 15 15:32:37 UTC 2023
PRIMARY
Related Record Type Details
DISINTEGRIN AND METALLOPROTEINASE DOMAIN-CONTAINING PROTEIN 17
TARGET -> INHIBITOR
DISINTEGRIN AND METALLOPROTEINASE DOMAIN-CONTAINING PROTEIN 10
TARGET -> INHIBITOR
Related Record Type Details
Structure of ADERBASIB
ACTIVE MOIETY
NIH
NCATS
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