U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H10BNO3
Molecular Weight 251.045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CRISABOROLE

SMILES

OB1OCC2=C1C=CC(OC3=CC=C(C=C3)C#N)=C2

InChI

InChIKey=USZAGAREISWJDP-UHFFFAOYSA-N
InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2

HIDE SMILES / InChI

Molecular Formula C14H10BNO3
Molecular Weight 251.045
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:24:41 UTC 2023
Edited
by admin
on Fri Dec 15 20:24:41 UTC 2023
Record UNII
Q2R47HGR7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRISABOROLE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
AN-2728
Code English
EUCRISA
Brand Name English
BENZONITRILE, 4-((1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-5-YL)OXY)-
Systematic Name English
CRISABOROLE [MI]
Common Name English
crisaborole [INN]
Common Name English
CRISABOROLE [ORANGE BOOK]
Common Name English
AN2728
Code English
4-((1-HYDROXY-1,3-DIHYDROBENZO(C)(1,2)OXABOROL-6-YL)OXY)BENZONITRILE
Systematic Name English
CRISABOROLE [USAN]
Common Name English
Crisaborole [WHO-DD]
Common Name English
Classification Tree Code System Code
NDF-RT N0000182961
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
WHO-ATC D11AH06
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL484785
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
LACTMED
Crisaborole
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
DAILYMED
Q2R47HGR7P
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
RXCUI
1865953
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
DRUG BANK
DB05219
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
CAS
906673-24-3
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
NCI_THESAURUS
C174863
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
PUBCHEM
44591583
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
SMS_ID
100000174729
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
MERCK INDEX
m11973
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
DRUG CENTRAL
5201
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
CHEBI
134677
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
WIKIPEDIA
Crisaborole
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
NDF-RT
N0000182960
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY Phosphodiesterase 4 Inhibitors [MoA]
INN
10024
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID10238231
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
USAN
CD-176
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
FDA UNII
Q2R47HGR7P
Created by admin on Fri Dec 15 20:24:41 UTC 2023 , Edited by admin on Fri Dec 15 20:24:41 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
Catalytic domain
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
INTERMEDIATE -> INGREDIENT
BINDER->LIGAND
BINDING
METABOLIC ENZYME -> SUBSTRATE
MAJOR
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METABOLITE INACTIVE -> PARENT
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ACTIVE MOIETY