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
UNII
4748U7LZ6E
DrugBank ID
DB02946
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.