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

General Information of Drug (ID: DR3693)
Drug Name
Berupipam
Synonyms NNC-22-0010
Indication Psychotic disorder [ICD11: 6A20-6A25] Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 408.7 Topological Polar Surface Area 32.7
Heavy Atom Count 24 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
66002
CAS Number
150490-85-0
TTD Drug ID
D0X8MI
Formula
C19H19BrClNO2
Canonical SMILES
CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC(=CC4=C3OCC4)Br)O)Cl
InChI
InChI=1S/C19H19BrClNO2/c1-22-4-2-11-7-17(21)18(23)9-14(11)16(10-22)15-8-13(20)6-12-3-5-24-19(12)15/h6-9,16,23H,2-5,10H2,1H3/t16-/m0/s1
InChIKey
DIKLCFJDIZFAOM-INIZCTEOSA-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
Berupipam M1 PDM010213 N. A. Conjugation - Aromatic OH-glucuronidation 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronyltransferase (UGT) DMEN064 . Not Available Not Available [2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004006)
2 Characterization of benzazepine UDP-glucuronosyl-transferases in laboratory animals and man

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.