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

General Information of Drug (ID: DR1847)
Drug Name
ABT-384
Synonyms
ABT 384; ABT-384; ABT384; R5TH77F919; SCHEMBL231595; 4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-propionylamino}-adamantane-1-carboxylic acid amide; 868623-40-9; BDBM50195291; CHEMBL222670; DB12501; GTPL7357; SCHEMBL20457214; UNII-R5TH77F919
Indication Viral hepatitis [ICD11: 1E51] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 493.6 Topological Polar Surface Area 91.6
Heavy Atom Count 35 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
11670435
PubChem SID
16774264 ; 23769047 ; 75860975 ; 103508304 ; 104077360 ; 178103929 ; 226583579 ; 248171098
CAS Number
868623-40-9
TTD Drug ID
D05WCI
Formula
C25H34F3N5O2
Canonical SMILES
CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F
InChI
1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)
InChIKey
CLHMYBJIOZXCEX-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
A-1331480 DM005685 N. A. Unclear 1 [2]
A-847082 DM005686 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006066 ABT-384 A-1331480 Unclear CYP3A4 [2]
MR006067 ABT-384 A-847082 Unclear CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT01137526) Efficacy and Safety Study of ABT-384 in Subjects With Mild-to-Moderate Alzheimer's Disease.
2 Effect of ketoconazole on the pharmacokinetics of the 11beta-hydroxysteroid dehydrogenase type 1 inhibitor ABT-384 and its two active metabolites in healthy volunteers: population analysis of data from a drug-drug interaction study. Drug Metab Dispos. 2013 May;41(5):1035-45.

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