Details of the Drug

General Information of Drug (ID: DMFYWE3)

Drug Name

CD-832.HCL

Synonyms

129904-55-8; 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 5-(3-nitrooxypropyl) 3-[2-(3-pyridylcarbonylamino)ethyl] diester monohydrochloride; CD-832.HCl

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

606

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

13

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

12

Chemical Identifiers

Formula: C26H28ClN5O10
IUPAC Name: 3-O-(3-nitrooxypropyl) 5-O-[2-(pyridine-3-carbonylamino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCNC(=O)C2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-].Cl
InChI: InChI=1S/C26H27N5O10.ClH/c1-16-21(25(33)39-11-5-12-41-31(37)38)23(18-6-3-8-20(14-18)30(35)36)22(17(2)29-16)26(34)40-13-10-28-24(32)19-7-4-9-27-15-19;/h3-4,6-9,14-15,23,29H,5,10-13H2,1-2H3,(H,28,32);1H
InChIKey: MWVXLKFCDZXILL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 179844
CAS Number: 129904-55-8
TTD ID: D0I0MJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Actions of a new Ca2+ channel antagonist, CD832, on two types of Ca2+ channels in smooth muscle. Eur J Pharmacol. 1994 Feb 11;252(3):267-74.