Details of the Drug

General Information of Drug (ID: DMNOMV2)

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
Disease Entry ICD 11 Status REF
Multiple sclerosis 8A40 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 283.34
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H18FN3
IUPAC Name
N-(3-fluoropyridin-4-yl)-3-methyl-N-propylindol-1-amine
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
Cross-matching ID
PubChem CID
3081185
CAS Number
119229-65-1
UNII
G7M7YWO6CG
DrugBank ID
DB12714
TTD ID
D02TIK
VARIDT ID
DR01026

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Blocker [1]
Voltage-gated sodium channel alpha Nav1.9 (SCN11A) TTN9VTF SCNBA_HUMAN Blocker [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs for spinal cord injury. Expert Opin Emerg Drugs. 2008 Mar;13(1):63-80.