General Information of the Compound
Compound ID
CP0102214
Compound Name
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
    Show/Hide
Synonyms
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
183232-66-8
3I4FA44MAI
AM 251
AM-251
AM251
CHEBI:90724
CHEMBL285932
CPD000466284
MFCD01861181
N-(Piperidin-1-yl)-5-(4-iodophenyl)-1-(2, 4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
N-(Piperidin-1-yl)-5-(4-iodophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
UNII-3I4FA44MAI
    Show/Hide
Structure
Formula
C22H21Cl2IN4O
Molecular Weight
555.247
Canonical SMILES
Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
    Show/Hide
InChI
InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
    Show/Hide
InChIKey
BUZAJRPLUGXRAB-UHFFFAOYSA-N
CAS
183232-66-8
Physicochemical Property
logP
5.88982
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2125
SID: 14886159
ChEMBL ID
CHEMBL285932
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 57.54 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3 nM
2 Ki = 7.49 nM
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 110 nM
   TI
   LI
   LO
   TS
2
Ki = 112 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 112.2 nM
2 Ki = 2290 nM
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 = 630 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AM251 )
Drug Name AM251
Target(s)
Cannabinoid receptor 1 (CB1)
Antagonist