Details of the Drug

General Information of Drug (ID: DMJXCVA)

Drug Name

CYPRODIME

Synonyms

Cyprodime; CHEMBL322796; N-(Cyclopropylmethyl)-4,14-dimethoxymorphinan-6-one; SCHEMBL3619261; BDBM50148071; ZINC13580323; NCGC00344512-01; Morphinan-6-one, 17-(cyclopropylmethyl)-4,14-dimethoxy-; (-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6-one(Cyprodime); 17-cyclopropylmethyl-3,10-dimethoxy-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one; 17-cyclopropylmethyl-10-hydroxy-4,14-dimethoxy-(1S,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-6-one(cyprodime)

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)

355.5

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H29NO3
IUPAC Name: (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Canonical SMILES: COC1=CC=CC2=C1[C@]34CCN([C@H](C2)[C@@]3(CCC(=O)C4)OC)CC5CC5
InChI: InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
InChIKey: INUCRGMCKDQKNA-CEMLEFRQSA-N

Cross-matching ID

PubChem CID: 5748293
CAS Number: 118111-54-9
TTD ID: D0S3TZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor mu (MOP)	TTKWM86	OPRM_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
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Synthesis and biological evaluation of 14-alkoxymorphinans. 21. Novel 4-alkoxy and 14-phenylpropoxy derivatives of the mu opioid receptor antagonis... J Med Chem. 2004 Jun 3;47(12):3242-7.