Details of the Drug

General Information of Drug (ID: DMWKRJX)

Drug Name
N',2-diphenylquinoline-4-carbohydrazide
Synonyms compound 2g [PMID: 16950620]
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 427.5
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C25H21N3O4
IUPAC Name
methyl N-[(3-methoxy-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate
Canonical SMILES
COC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NN(C4=CC=CC=C4)C(=O)OC
InChI
InChI=1S/C25H21N3O4/c1-31-23-21(24(29)27-28(25(30)32-2)18-13-7-4-8-14-18)19-15-9-10-16-20(19)26-22(23)17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)
InChIKey
JLSTVOPSMZBZSR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16049828
TTD ID
D0W3XD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuromedin-K receptor (TACR3) TTBPGLU NK3R_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Neuromedin-K receptor (TACR3) DTT TACR3 3.59E-01 0.04 0.12
Neuromedin-K receptor (TACR3) DTT TACR3 5.19E-01 -4.10E-03 -0.03
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 N',2-diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists. Bioorg Med Chem Lett. 2006 Nov 15;16(22):5748-51.