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]
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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: CHEBI:135204
CAS Number: 77-22-5
TTD ID: D09TDI

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.