Details of the Drug

General Information of Drug (ID: DMXDLUH)

Drug Name
NGD-4715
Synonyms NGD-4715; 476322-70-0; 1-(5-bromo-6-methoxypyridin-2-yl)-4-(3,4-dimethoxybenzyl)piperazine; SCHEMBL4712990; DTXSID10432090; VAKYVNYLCIABRV-UHFFFAOYSA-N; HY-100318
Indication
Disease Entry ICD 11 Status REF
Obesity 5B81 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 422.3
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H24BrN3O3
IUPAC Name
1-(5-bromo-6-methoxypyridin-2-yl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
Canonical SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC(=C(C=C3)Br)OC)OC
InChI
InChI=1S/C19H24BrN3O3/c1-24-16-6-4-14(12-17(16)25-2)13-22-8-10-23(11-9-22)18-7-5-15(20)19(21-18)26-3/h4-7,12H,8-11,13H2,1-3H3
InChIKey
VAKYVNYLCIABRV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9866893
CAS Number
476322-70-0
TTD ID
D0N1AS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melanin-concentrating hormone receptor 1 (MCHR1) TTX4RTB MCHR1_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Obesity
ICD Disease Classification 5B81
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Melanin-concentrating hormone receptor 1 (MCHR1) DTT MCHR1 6.98E-01 -0.01 -0.04
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 800025311)
2 CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.