Details of the Drug

General Information of Drug (ID: DMKNJM7)

Drug Name

DV-7028

Synonyms

133364-63-3; DV 7028; AC1O5RHW; SCHEMBL9378376; 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-6,7,8,9-tetrahydro-2H-pyrido(1,2-a)-1,3,5-triazine-2,4(3H)dione maleate; 2H-Pyrido(1,2-a)-1,3,5-triazine-2,4(3H)-dione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-,(Z)-2-butenedioate (1:1)

Indication

Disease Entry	ICD 11	Status	REF
Cardiovascular disease	BA00-BE2Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

516.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C25H29FN4O7
IUPAC Name: (Z)-but-2-enedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
Canonical SMILES: C1CCN2C(=NC(=O)N(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C1.C(=C\\C(=O)O)\\C(=O)O
InChI: InChI=1S/C21H25FN4O3.C4H4O4/c22-17-6-4-15(5-7-17)19(27)16-8-11-24(12-9-16)13-14-26-20(28)23-18-3-1-2-10-25(18)21(26)29;5-3(6)1-2-4(7)8/h4-7,16H,1-3,8-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey: GVSYIVYQDRVBAL-BTJKTKAUSA-N

Cross-matching ID

PubChem CID: 6439352
CAS Number: 133364-63-3
TTD ID: D0F6XR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Cardiovascular disease

ICD Disease Classification

BA00-BE2Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression 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 800001984)
2	Vascular and cardiac effects of DV-7028, a selective, 5-HT2-receptor antagonist in rats. J Cardiovasc Pharmacol. 1998 Aug;32(2):266-73.