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

General Information of Drug (ID: DR3249)
Drug Name
HP-184
Synonyms
Nerispirdine; Nerispirdine hydrochloride; HP 184; N-(3-fluoropyridin-4-yl)-3-methyl-N-propylindol-1-amine; N-(n-Propyl)-3-fluoro-4-pyridinyl-1H-3-methylindol-1-amine hydrochloride; N-(3-Fluoro-4-pyridinyl)-3-methyl-N-propyl-1H-indol-1-amine; 1H-Indol-1-amine, N-(3-fluoro-4-pyridinyl)-3-methyl-N-propyl-, monohydrochloride
Indication Multiple sclerosis [ICD11: 8A40] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 283.34 Topological Polar Surface Area 21.1
Heavy Atom Count 21 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
3081185
CAS Number
119229-65-1
TTD Drug ID
D02TIK
Formula
C17H18FN3
Canonical SMILES
CCCN(C1=C(C=NC=C1)F)N2C=C(C3=CC=CC=C32)C
InChI
InChI=1S/C17H18FN3/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3
InChIKey
BTDHTARYCBHHPJ-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
HP-184 M10a,10b DM019662 N. A. Unclear - Unclear 1 [2]
HP-184 M7 DM019658 N. A. Unclear - Unclear 1 [2]
HP183 DM015572
9942843
Unclear - Unclear 1 [2]
HP-184 M6 DM019656 N. A. Unclear - Unclear 2 [2]
HP-184 M8 DM019659 N. A. Unclear - Unclear 2 [2]
HP-184 M11 DM019661 N. A. Unclear - Unclear 3 [2]
HP-185 DM016553
122179747
Unclear - Unclear 3 [2]
HP185 DM019660 N. A. Unclear - Unclear 3 [2]
HP-184 M12 DM019657 N. A. Unclear - Unclear 4 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012348 HP-184 HP183 Unclear - Unclear Unclear [2]
MR012352 HP-184 HP-184 M7 Unclear - Unclear Unclear [2]
MR012357 HP-184 HP-184 M10a,10b Unclear - Unclear Unclear [2]
MR012353 HP-184 M7 HP-184 M8 Unclear - Unclear Unclear [2]
MR012349 HP183 HP-184 M6 Unclear - Unclear Unclear [2]
MR012350 HP-184 M6 HP-185 Unclear - Unclear Unclear [2]
MR012354 HP-184 M8 HP185 Unclear - Unclear Unclear [2]
MR012356 HP-184 M8 HP-184 M11 Unclear - Unclear Unclear [2]
MR012351 HP-185 HP-184 M12 Unclear - Unclear Unclear [2]
MR012355 HP185 HP-184 M12 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 10 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Emerging drugs for spinal cord injury. Expert Opin Emerg Drugs. 2008 Mar;13(1):63-80.
2 Effect of deuteration on metabolism and clearance of Nerispirdine (HP184) and AVE5638

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