Details of the Drug

General Information of Drug (ID: DM5VFR0)

Drug Name

DHP-218

Synonyms

Dhp-218; 102097-78-9; Dhp 218; 3-Pyridinecarboxylicacid,1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-5-(2-oxido-1,3,2-dioxaphosphorinan-2-yl)-,methyl ester; 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-5-(2-oxido-1,3,2-dioxaphosphorinan-2-yl)-, methyl ester;3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-5-(2-oxido-1,3,2-dioxaphosphorinan-2-yl)-, methyl ester; AC1O3SAA; ACMC-20m53m; SCHEMBL1356340; CTK4A0679; AKOS030566270; Methyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(2-oxo-1,

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

408.3

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C18H21N2O7P
IUPAC Name: methyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-1,4-dihydropyridine-3-carboxylate
Canonical SMILES: CC1=C(C(C(=C(N1)C)P2(=O)OCCCO2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C18H21N2O7P/c1-11-15(18(21)25-3)16(13-7-4-5-8-14(13)20(22)23)17(12(2)19-11)28(24)26-9-6-10-27-28/h4-5,7-8,16,19H,6,9-10H2,1-3H3
InChIKey: GSWINTXYUFHJGW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6336069
CAS Number: 102097-78-9
TTD ID: D0DI3E

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	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000422)
2	Effect of DHP-218, a novel dihydropyridine phosphonate, on atrioventricular nodal conductivity compared with its vascular effect in dogs. J Cardiovasc Pharmacol. 1987 Sep;10(3):274-9.