General Information of the Compound
Compound ID
CP0001168
Compound Name
4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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Synonyms
205254-94-0
4-(6,7-Dimethoxy-4-quinazolinyl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
ACM205254940
BDBM50115301
CCG-206772
CHEBI:143127
CHEMBL102346
CTK8E8815
DTXSID20447892
GTPL6019
HMS3229I09
HSCI1_000345
IN1156
J-013383
N-(4-Phenoxyphenyl)-4-(6,7-dimethoxyquinazoline-4-yl)piperazine-1-carboxamide
NCGC00185729-01
PDGF Receptor Tyrosine Kinase Inhibitor III
PDGF receptor tyrosine kinase inhibitor III
PDGFR Tyrosine Kinase Inhibitor III
RT-014972
SCHEMBL2592017
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Structure
Formula
C27H27N5O4
Molecular Weight
485.544
Canonical SMILES
COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
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InChI
InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
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InChIKey
INTPTKHSGKBHHW-UHFFFAOYSA-N
Physicochemical Property
logP
4.7934
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
89.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 10907042
SID: 15955763
ChEMBL ID
CHEMBL102346
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: PT00844, Platelet-derived growth factor receptor beta
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 > 80 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 80 nM
2 IC50 = 130 nM
Clinical Information about the Compound
Drug 1 ( PDGF receptor tyrosine kinase inhibitor III )
Drug Name PDGF receptor tyrosine kinase inhibitor III
Target(s)
Platelet-derived growth factor receptor beta (PDGFRB)
 Target Info 
Inhibitor