General Information of the Compound
Compound ID
CP0522376
Compound Name
3-methoxy-N',2-diphenylquinoline-4-carbohydrazide
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Synonyms
3-methoxy-N',2-diphenylquinoline-4-carbohydrazide
3-methyloxy-N',2-diphenyl-4-quinolinecarbohydrazide
BDBM50194593
CHEMBL218717
SCHEMBL3963611
WQHSKTAHWLQAGK-UHFFFAOYSA-N
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Structure
Formula
C23H19N3O2
Molecular Weight
369.424
Canonical SMILES
COc1c(nc2ccccc2c1C(=O)NNc1ccccc1)-c1ccccc1
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InChI
InChI=1S/C23H19N3O2/c1-28-22-20(23(27)26-25-17-12-6-3-7-13-17)18-14-8-9-15-19(18)24-21(22)16-10-4-2-5-11-16/h2-15,25H,1H3,(H,26,27)
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InChIKey
WQHSKTAHWLQAGK-UHFFFAOYSA-N
Physicochemical Property
logP
4.6673
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
63.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44419758
ChEMBL ID
CHEMBL218717
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01199, Neuromedin-K receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 32 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-methoxy-N',2-diphenylquinoline-4-carbohydrazide )
Drug Name 3-methoxy-N',2-diphenylquinoline-4-carbohydrazide
Target(s)
Neuromedin-K receptor (TACR3)
Inhibitor