General Information of the Compound
Compound ID
CP0377187
Compound Name
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
    Show/Hide
Synonyms
PMID26394986-Compound-28
Quinoline carboxamide derivative 1
    Show/Hide
Structure
Formula
C22H14N4O3
Molecular Weight
382.379
Canonical SMILES
O=C(Nc1nnc(o1)-c1ccco1)c1cc(nc2ccccc12)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C22H14N4O3/c27-20(24-22-26-25-21(29-22)19-11-6-12-28-19)16-13-18(14-7-2-1-3-8-14)23-17-10-5-4-9-15(16)17/h1-13H,(H,24,26,27)
    Show/Hide
InChIKey
MNPXTRXFUMGQLK-UHFFFAOYSA-N
Physicochemical Property
logP
4.7971
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
94.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 4253236
SID: 87460025
ChEMBL ID
CHEMBL1687979
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: PT01503, Signal transducer and activator of transcription 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 74000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Quinoline carboxamide derivative 1 )
Drug Name Quinoline carboxamide derivative 1
Company Pharma. Ip. General, Inc. Mamoto Health Science University
Target(s)
Signal transducer and activator of transcription 3 (STAT3)
Inhibitor