General Information of the Compound
Compound ID
CP0389514
Compound Name
4-phenyl-N-[4-(propylamino)butyl]benzamide
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Synonyms
CHEMBL444128
N-(4-Propylaminobutyl)-4-biphenylcarboxamide
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Structure
Formula
C20H26N2O
Molecular Weight
310.441
Canonical SMILES
CCCNCCCCNC(=O)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C20H26N2O/c1-2-14-21-15-6-7-16-22-20(23)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13,21H,2,6-7,14-16H2,1H3,(H,22,23)
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InChIKey
QAAKBUYWNXINKR-UHFFFAOYSA-N
Physicochemical Property
logP
3.8632
Rotatable Bonds
9
Heavy Atom Count
23
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 25139331
SID: 56466361
ChEMBL ID
CHEMBL444128
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 21000 nM
   TI
   LI
   LO
   TS
2
Ki > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 11000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(4-Propylaminobutyl)-4-biphenylcarboxamide )
Drug Name N-(4-Propylaminobutyl)-4-biphenylcarboxamide
Target(s)
Dopamine D3 receptor (D3R)
Inhibitor
Dopamine D1 receptor (D1R)
Inhibitor
Dopamine D4 receptor (D4R)
Inhibitor