General Information of the Compound
Compound ID
CP0042287
Compound Name
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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Synonyms
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholino-1H-pyrazole-3-carboxamide
202463-68-1
AC1N7ICF
AJFFBPZYXRNAIC-UHFFFAOYSA-N
AM 281
AM-281
AM281
BCP07951
BN0064
CHEBI:93039
CHEMBL476833
CTK8E9266
EX-A1546
GTPL741
HMS3267K18
MolPort-003-940-033
SBP4A4DYH2
SCHEMBL1517458
Tocris-1115
UNII-SBP4A4DYH2
ZINC2575699
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Structure
Formula
C21H19Cl2IN4O2
Molecular Weight
557.219
Canonical SMILES
Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
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InChI
InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
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InChIKey
AJFFBPZYXRNAIC-UHFFFAOYSA-N
Physicochemical Property
logP
4.73612
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 4302962
SID: 14963226
ChEMBL ID
CHEMBL476833
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 422 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 4200 nM
   TI
   LI
   LO
   TS
Protein ID: PT05453, G-protein coupled receptor 55
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 13600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AM-281 )
Drug Name AM-281
Target(s)
Cannabinoid receptor 2 (CB2)
Inhibitor
Cannabinoid receptor 1 (CB1)
Inhibitor