Details of the Drug

General Information of Drug (ID: DMPGR1E)

Drug Name
Clascoterone
Synonyms CB-03-01
Indication
Disease Entry ICD 11 Status REF
Acne vulgaris ED80 Approved [1]
ATC Code
D10AX06: Clascoterone
D10AX: Other anti-acne preparations for topical use
D10A: ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10: ANTI-ACNE PREPARATIONS
D: DERMATOLOGICALS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 402.5
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 37.1 +/- 22.3 mcgh/L [2]
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 4.5 +/- 2.9 mcg/L [2]
Metabolism
The drug is metabolized via skin [3]
Chemical Identifiers
Formula
C24H34O5
IUPAC Name
[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
Canonical SMILES
CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CO
InChI
InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1
InChIKey
GPNHMOZDMYNCPO-PDUMRIMRSA-N
Cross-matching ID
PubChem CID
11750009
ChEBI ID
CHEMBL3590187
CAS Number
19608-29-8
UNII
XN7MM8XG2M
DrugBank ID
DB12499
TTD ID
D08TEJ
ACDINA ID
D00952
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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
Androgen receptor (AR) TTS64P2 ANDR_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Acne vulgaris
ICD Disease Classification ED80
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Androgen receptor (AR) DTT AR 2.13E-01 -0.07 -0.11
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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

DIG
DIG Name DIG ID PubChem CID Functional Classification
Alpha-tocopherol E00243 14985 Antimicrobial preservative; Antioxidant
Cetyl alcohol E00061 2682 Coating agent; Emollient; Emulsifying agent; Stiffening agent
Citric acid monohydrate E00271 22230 Acidulant; Antioxidant; Buffering agent; Complexing agent; Flavoring agent
Edetate disodium E00186 8759 Complexing agent
Polysorbate 80 E00665 Not Available Dispersing agent; Emollient; Emulsifying agent; Plasticizing agent; Solubilizing agent; Surfactant; Suspending agent
Propylene glycol E00040 1030 Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Water E00035 962 Solvent
⏷ Show the Full List of 7 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Clascoterone 1% cream 1% Cream Topical
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
2 Mazzetti A, Moro L, Gerloni M, Cartwright M: Pharmacokinetic Profile, Safety, and Tolerability of Clascoterone (Cortexolone 17-alpha propionate, CB-03-01) Topical Cream, 1% in Subjects With Acne Vulgaris: An Open-Label Phase 2a Study J Drugs Dermatol. 2019 Jun 1;18(6):563.
3 FDA Approved Drug Products: WINLEVI (clascoterone) cream, for topical use