General Information of the Compound
Compound ID
CP0016817
Compound Name
1-(5-chloro-2-methoxyphenyl)-3-(2-methylquinolin-4-yl)urea
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Synonyms
IGF-1R inhibitor II
PQ 401
PQ-401
PQ401
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Structure
Formula
C18H16ClN3O2
Molecular Weight
341.798
Canonical SMILES
COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12
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InChI
InChI=1S/C18H16ClN3O2/c1-11-9-15(13-5-3-4-6-14(13)20-11)21-18(23)22-16-10-12(19)7-8-17(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)
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InChIKey
YBLWOZUPHDKFOT-UHFFFAOYSA-N
Physicochemical Property
logP
4.84922
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
63.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 9549305
SID: 14778048
ChEMBL ID
CHEMBL439259
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 15000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PQ401 )
Drug Name PQ401
Target(s)
IGF1R messenger RNA (IGF1R mRNA)
Inhibitor