Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR4599)
Drug Name
KD025
Synonyms .
Indication Psoriasis vulgaris [ICD11: EA90] Phase 2 [1]
Rheumatoid arthritis [ICD11: ICD11: FA20] Phase 2 [2]
Lupus erythematosus [ICD11: ICD11: 4A40] Phase 1 [3]
Psoriatic arthritis [ICD11: ICD11: FA21] Phase 1 [4]
Scleroderma [ICD11: ICD11: 4A42] Phase 1 [5]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 452.5 Topological Polar Surface Area 105
Heavy Atom Count 34 Rotatable Bond Count 7
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
11950170
CAS Number
911417-87-3
TTD Drug ID
D0U5UC
Formula
C26H24N6O2
Canonical SMILES
CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5
InChI
InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
InChIKey
GKHIVNAUVKXIIY-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
KD025 M1 PDM010250 N. A. Conjugation - N-Glucuronidation of azole 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[6]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[6]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[6]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[6]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT02317627) Study of of KD025 in Subjects With Psoriasis Vulgaris Who Failed First-Line Therapy. U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
6 DrugBank(Pharmacology-Metabolism):KD025

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