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Details

Stereochemistry ACHIRAL
Molecular Formula C24H31N3O3
Molecular Weight 409.5212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONALESPIB

SMILES

CC(C)C1=CC(C(=O)N2CC3=C(C2)C=C(CN4CCN(C)CC4)C=C3)=C(O)C=C1O

InChI

InChIKey=IFRGXKKQHBVPCQ-UHFFFAOYSA-N
InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C24H31N3O3
Molecular Weight 409.5212
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:07:41 UTC 2023
Edited
by admin
on Fri Dec 15 18:07:41 UTC 2023
Record UNII
Q7Y33N57ZZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ONALESPIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
Onalespib [WHO-DD]
Common Name English
ONALESPIB [USAN]
Common Name English
ATI-13387X
Code English
ATI13387X
Code English
AT-13387
Common Name English
(2,4-DIHYDROXY-5-ISOPROPYLPHENYL)-(5-(4-METHYLPIPERAZIN-1-YLMETHYL)-1,3-DIHYDROISOINDOL-2-YL)METHANONE
Systematic Name English
onalespib [INN]
Common Name English
METHANONE, (1,3-DIHYDRO-5-((4-METHYL-1-PIPERAZINYL)METHYL)-2H-ISOINDOL-2-YL)(2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL)-
Systematic Name English
AT13387
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C74526
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
Code System Code Type Description
DRUG BANK
DB06306
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
INN
10031
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
CAS
912999-49-6
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
USAN
BC-66
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
NCI_THESAURUS
C85454
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID80238485
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
ChEMBL
CHEMBL1214827
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
FDA UNII
Q7Y33N57ZZ
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
CHEBI
140592
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
PUBCHEM
11955716
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
SMS_ID
100000168610
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
EVMPD
SUB182117
Created by admin on Fri Dec 15 18:07:41 UTC 2023 , Edited by admin on Fri Dec 15 18:07:41 UTC 2023
PRIMARY
Related Record Type Details
HEAT SHOCK PROTEIN 90KD ALPHA
TARGET -> INHIBITOR
Structure of ONALESPIB LACTATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of ONALESPIB
ACTIVE MOIETY
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