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]
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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) 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.