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

General Information of Drug (ID: DR1797)
Drug Name
EGYT-3886
Synonyms
Deramciclane; Deramciclane [INN]; Deramclclane; EGIS-3886; EGYT-3886; EGYT3886; Egyt 3886; O5KFK61E74; QOBGWWQAMAPULA-RLLQIKCJSA-N; SCHEMBL548911; deramciclane, (1R,2S,4R)-isomer; 120444-71-5; BCP21344; CHEMBL2104698; CTK0H6513; DTXSID10152862; Ethanamine, N,N-dimethyl-2-(((1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)-; Ethanamine, N,N-dimethyl-2-((1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)-, (1R-exo)-; GTPL5490; N,N-Dimethyl-2-(((1R,2S,4R)-2-phenyl-2-bornyl)oxy)ethylamine; UNII-O5KFK61E74
Indication Anxiety disorder [ICD11: 6B00] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 301.5 Topological Polar Surface Area 12.5
Heavy Atom Count 22 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
119590
PubChem SID
16241831 ; 29300432 ; 50064251 ; 57339571 ; 74485793 ; 135107097 ; 136292470 ; 137147719 ; 144235383 ; 160697964 ; 163305281 ; 176251686 ; 178102137 ; 179149694 ; 198935447 ; 219813681 ; 223609753 ; 223957136 ; 226857741 ; 252215266
CAS Number
120444-71-5
TTD Drug ID
D0E6UA
Formula
C20H31NO
Canonical SMILES
CC1(C2CCC1(C(C2)(C3=CC=CC=C3)OCCN(C)C)C)C
InChI
1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
InChIKey
QOBGWWQAMAPULA-RLLQIKCJSA-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
1-hydroxy-deramciclane DM005591
154731612
Unclear 1 [3]
Carboxy-deramciclane DM005588 N. A. Unclear 1 [3]
Deramciclane N-oxide DM005590
88200129
Unclear 1 [3]
Dihydroxy-deramciclane DM005592 N. A. Unclear 1 [3]
Hydroxy-phenylborneol DM005587 N. A. Unclear 1 [3]
N-desmethyl carboxy-deramciclane DM005589 N. A. Unclear 1 [3]
N-desmethyl deramciclane DM005585
57188424
Unclear 1 [3]
Phenylborneol DM005586
10721413
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005955 EGYT-3886 N-desmethyl deramciclane Unclear Unclear [3]
MR005956 EGYT-3886 Phenylborneol Unclear Unclear [3]
MR005957 EGYT-3886 Hydroxy-phenylborneol Unclear Unclear [3]
MR005958 EGYT-3886 Carboxy-deramciclane Unclear Unclear [3]
MR005959 EGYT-3886 N-desmethyl carboxy-deramciclane Unclear Unclear [3]
MR005960 EGYT-3886 Deramciclane N-oxide Unclear Unclear [3]
MR005961 EGYT-3886 1-hydroxy-deramciclane Unclear Unclear [3]
MR005962 EGYT-3886 Dihydroxy-deramciclane Unclear Unclear [3]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[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 800001479)
2 Role of CYP2E1 in deramciclane metabolism. Drug Metab Dispos. 2005 Nov;33(11):1717-22.
3 Biotransformation of deramciclane in primary hepatocytes of rat, mouse, rabbit, dog, and human

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