General Information of the Compound
Compound ID
CP0043633
Compound Name
4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
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Synonyms
(Z)-4-methoxy-N-(4-phenylthiazol-2(3H)-ylidene)benzamide
15850-34-7
4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
4-methoxy-N-(4-phenylthiazol-2-yl)benzamide
AC1LDKPI
AC1Q49Y1
AKOS001303429
AKOS024573980
BDBM50097431
CHEMBL60156
LUF-5433
MCULE-3254711297
MolPort-001-029-705
MolPort-003-712-982
N-(4-phenylthiazol-2-yl)-4-methoxybenzamide
Oprea1_074264
Oprea1_345855
Oprea1_747035
SCHEMBL2753298
SR-01000394983
SR-01000394983-1
ST042073
STK401912
ZINC1508173
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Structure
Formula
C17H14N2O2S
Molecular Weight
310.378
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
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InChI
InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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InChIKey
FVWGKRAXWKLEHX-UHFFFAOYSA-N
Physicochemical Property
logP
4.071
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 668712
SID: 15370931
ChEMBL ID
CHEMBL60156
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 670 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 670 nM
Clinical Information about the Compound
Drug 1 ( LUF-5433 )
Drug Name LUF-5433
Target(s)
Adenosine A2a receptor (ADORA2A)
Inhibitor
Adenosine A1 receptor (ADORA1)
Inhibitor
Adenosine A3 receptor (ADORA3)
Inhibitor