Details of the Drug

General Information of Drug (ID: DMBKQ03)

Drug Name
Carpropamid
Synonyms
Carpropamid; 104030-54-8; 2,2-Dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide; 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide; Carpropamid [ISO]; AC1L4B6R; SCHEMBL22262; CHEBI:3434; DTXSID4057922; RXDMAYSSBPYBFW-UHFFFAOYSA-N; KTU-3616; AKOS015888200; Cyclopropanecarboxamide, 2,2-dichloro-N-(1-(4-chlorophenyl)ethyl)-1-ethyl-3-methyl-; AN-34090; TR-000928; Carpropamid, PESTANAL(R), analytical standard; C10932; SR-01000883725; SR-01000883725-1; I01-10136
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.7
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C15H18Cl3NO
IUPAC Name
2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
Canonical SMILES
CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)
InChIKey
RXDMAYSSBPYBFW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
153847
ChEBI ID
CHEBI:3434
CAS Number
104030-54-8
TTD ID
D09FJW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fungal Scytalone dehydratase (Fung SDH1) TT64EPS SCYD_MAGO7 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Enzymatic characterization of scytalone dehydratase Val75Met variant found in melanin biosynthesis dehydratase inhibitor (MBI-D) resistant strains of the rice blast fungus. Biosci Biotechnol Biochem.2004 Mar;68(3):615-21.