Details of the Drug

General Information of Drug (ID: DMJFPA9)

Drug Name
CARAMIPEN
Synonyms
Caramiphen; Parpanil; 77-22-5; Pentaphen (pharmaceutical); Caramiphen [INN:BAN]; Caramiphenum [INN-Latin]; Caramiphene [INN-French]; UNII-97J7NP0XJY; Caramifenio [INN-Spanish]; EINECS 201-013-6; BRN 2144901; 97J7NP0XJY; CYCLOPENTANECARBOXYLIC ACID, 1-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER; CHEMBL61946; 1-Phenylcyclopentanecarboxylic acid 2-(diethylamino)ethyl ester; 2-Diethylaminoethyl 1-phenylcyclopentancarboxylat; 2-(Diethylamino)ethyl 1-phenylcyclopentanecarboxylate; 2-Diethylaminoethyl 1-phenylcyclopentane-1-carboxylate
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) 289.4
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H27NO2
IUPAC Name
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate
Canonical SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKey
OFAIGZWCDGNZGT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6472
ChEBI ID
CHEMBL61946
CAS Number
77-22-5
UNII
97J7NP0XJY
DrugBank ID
DB11504
TTD ID
D09TDI
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M1 (CHRM1) TTZ9SOR ACM1_HUMAN Inhibitor [1]
Muscarinic acetylcholine receptor M2 (CHRM2) TTYEG6Q ACM2_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 5.59E-01 0.19 0.41
Muscarinic acetylcholine receptor M2 (CHRM2) DTT CHRM2 5.59E-01 0.19 0.41
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Muscarinic receptor binding profile of para-substituted caramiphen analogues. J Med Chem. 1991 Oct;34(10):2984-9.