Details of the Drug

General Information of Drug (ID: DM48ECA)

Drug Name
DA-5018
Synonyms
Capsavanil; Davasaicin; Da 5018; KR-25018; Benzeneacetamide, 4-(2-aminoethoxy)-N-(3-(3,4-dimethylphenyl)propyl)-3-methoxy-, monohydrochloride; 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide; 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide hydrochloride
Indication
Disease Entry ICD 11 Status REF
Diabetic neuropathy 8C0Z Discontinued in Phase 2 [1]
Postherpetic neuralgia 1E91.5 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 406.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 10
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C22H31ClN2O3
IUPAC Name
2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide;hydrochloride
Canonical SMILES
CC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2)OCCN)OC)C.Cl
InChI
InChI=1S/C22H30N2O3.ClH/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3;/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25);1H
InChIKey
OUEKLNJUMVZULZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
177286
CAS Number
174661-97-3
TTD ID
D06GDH
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transient receptor potential cation channel V1 (TRPV1) TTMI6F5 TRPV1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
2 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.