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

General Information of Drug (ID: DR2392)
Drug Name
Camylofine dihydrochloride
Synonyms
Camylofin hydrochloride; Camylofine HCl; Camylofine dihydrochloride; Camylofine hydrochloride; LS-72463; AKOS026749870; Avacan; Acamylophenine dihydrochloride; Acamylophenine hydrochloride; Acamylophenine hydrochloride [JAN]; C19H32N2O2.2HCl; EINECS 227-571-0; GLYCINE, N-(2-(DIETHYLAMINO)ETHYL)-2-PHENYL-, ISOPENTYL ESTER, DIHYDROCHLORIDE; Isopentyl a-(2-diethylaminoethylamino)phenylacetate dihydrochloride; Isopentyl alpha-(2-diethylaminoethylamino)phenylacetate dihydrochloride
Indication Cerebral vasospasm [ICD11: BA85] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 393.4 Topological Polar Surface Area 47.4
Heavy Atom Count 25 Rotatable Bond Count 12
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
22182
CAS Number
5892-41-1
Formula
C19H34Cl2N2O2
Canonical SMILES
CC[NH+](CC)CC[NH2+]C(C1=CC=CC=C1)C(=O)OCCC(C)C.[Cl-].[Cl-]
InChI
1S/C19H32N2O2.2ClH/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;2*1H
InChIKey
ZHRVNCCPAKIGRH-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
Camylofine dihydrochloride M1 PDM007371 N. A. Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Camylofine dihydrochloride M2 PDM007372
31260
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Camylofine dihydrochloride M3 PDM007373 N. A. Conjugation - N-Glucuronidation of tertiary aliphatic amine 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1398 Clostridioides difficile Not Available Not Available [2]
References
1 National Center for Advancing Translational Science-Inxight: drug (MO02H82C7M)
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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