Details of the Drug

General Information of Drug (ID: DMNVKU6)

Drug Name
crisaborole
Synonyms Crisaborole ointment 2%; PF-06930164
Indication
Disease Entry ICD 11 Status REF
Atopic dermatitis EA80 Approved [1]
Affected Organisms
Humans and other mammals
ATC Code
D11AH06: crisaborole
D11AH: Agents for dermatitis, excluding corticosteroids
D11A: OTHER DERMATOLOGICAL PREPARATIONS
D11: OTHER DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 251.05
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
ADMET Property
Metabolism
The drug is metabolized via the hydrolysis []
Chemical Identifiers
Formula
C14H10BNO3
IUPAC Name
4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
Canonical SMILES
B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O
InChI
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
InChIKey
USZAGAREISWJDP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44591583
ChEBI ID
CHEBI:134677
CAS Number
906673-24-3
UNII
Q2R47HGR7P
DrugBank ID
DB05219
TTD ID
D08NWF
ACDINA ID
D00968
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 4 (PDE4) TTV5CGO NOUNIPROTAC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Butylated hydroxytoluene E00336 31404 Antioxidant
Glyceryl monostearate E00310 24699 Emollient; Emulsifying agent; Emulsion stabilizing agent; Solubilizing agent; Surfactant; Viscosity-controlling agent
Edetate calcium disodium E00487 6093170 Complexing agent
Propylene glycol E00040 1030 Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Crisaborole 2% ointment 2% Ointment Topical
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 2016 FDA drug approvals. Nat Rev Drug Discov. 2017 Feb 2;16(2):73-76.