Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL559612

CP-55940
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL559612
Name CP-55940
Phase Preclinical
Structure Type MOL
InChI Key YNZFFALZMRAPHQ-SYYKKAFVSA-N
13
Targets
219
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

376.6
MW (Da)
5.66
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H40O3
MW 376.58
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.50

Activity Summary

EC50 124 meas. best 9.8
Ki 66 meas. best 9.82
IC50 27 meas. best 9.89
Kd 2 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
 IC50 9.89 8.8829 0.1 14
Cannabinoid receptor 2
CHEMBL253
 Ki 9.82 8.8 0.1 29
Cannabinoid receptor 1
CHEMBL3571
 EC50 9.8 8.1157 0.2 7
Cannabinoid receptor 1
CHEMBL218
 EC50 9.59 8.2804 0.3 54
Cannabinoid receptor 1
CHEMBL218
 Ki 9.57 8.9052 0.3 27
Cannabinoid receptor 2
CHEMBL253
 EC50 9.5 8.1302 0.3 55
Cannabinoid receptor 2
CHEMBL2470
 EC50 9.47 9.47 0.3 1
Cannabinoid receptor 1
CHEMBL218
 Kd 9.3 9.3 0.5 1
Cannabinoid receptor 1
CHEMBL3571
 Ki 9.24 8.8 0.6 5
Cannabinoid receptor 2
CHEMBL253
 Kd 9.23 9.23 0.6 1
Cannabinoid receptor 1
CHEMBL3037
 Ki 9.21 9.015 0.6 2
Cannabinoid receptor 2
CHEMBL253
 IC50 9.09 8.7875 0.8 4
Cannabinoid receptor
CHEMBL2096981
 Ki 9.03 9.03 0.9 1
Cannabinoid receptor 2
CHEMBL5373
 Ki 8.96 8.96 1.1 1
Unchecked
CHEMBL612545
 Ki 8.59 8.59 2.6 1
Cannabinoid receptor 1
CHEMBL3571
 IC50 8.4 8.4 4.0 1
Cannabinoid receptor 2
CHEMBL5373
 EC50 8.15 8.15 7.0 1
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 EC50 8.0 8.0 10.0 1
Cannabinoid receptor 1
CHEMBL3037
 EC50 7.38 7.38 42.0 1
Rattus norvegicus
CHEMBL376
 EC50 7.0 7.0 100.0 1
G-protein coupled receptor 55
CHEMBL1075322
 EC50 5.79 5.79 1610.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.7 5.4571 1995.3 7
N-arachidonyl glycine receptor
CHEMBL2384898
 IC50 5.22 5.22 5990.0 1
N-arachidonyl glycine receptor
CHEMBL2384898
 EC50 5.22 5.22 5990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 IC50 = 0.13 nM 9.89 Inverse agonist activity at human cannabinoid CB1 receptor expressed in CHO cell... 20047779
Cannabinoid receptor 2 Ki = 0.15 nM 9.82 Binding affinity to human CB2 cannabinoid receptor using [3H]CP-55940 in HEK293 ... 11741470
Cannabinoid receptor 1 EC50 = 0.16 nM 9.8 Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells asses... 18680277
Cannabinoid receptor 2 Ki = 0.2 nM 9.7 Agonist activity at recombinant human full length CB2 receptor expressed in HEK2... 29232588
Cannabinoid receptor 1 IC50 = 0.21 nM 9.68 Binding affinity to human CB1 receptor by radioligand displacement assay 23582449
Cannabinoid receptor 1 EC50 = 0.26 nM 9.59 Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells ass... 18680277
Cannabinoid receptor 1 Ki = 0.27 nM 9.57 Binding affinity to human CB1 receptor by radioligand displacement assay 23466604
Cannabinoid receptor 1 EC50 = 0.28 nM 9.55 Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as rev... 17630726
Cannabinoid receptor 1 EC50 = 0.3 nM 9.52 Agonist activity at human CB1 receptor expressed in HEK293 cells after 24 hrs by... 33382613
Cannabinoid receptor 1 IC50 = 0.31 nM 9.51 Binding affinity to human CB1 receptor by radioligand displacement assay 23466604
Cannabinoid receptor 1 Ki = 0.3162 nM 9.5 Displacement of [3H]-CP55940 from human CB1 expressed in insect Sf9 membranes 21074434
Cannabinoid receptor 2 EC50 = 0.315 nM 9.5 Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as act... 38885438
Cannabinoid receptor 2 Ki = 0.3162 nM 9.5 Displacement of [3H]-CP55940 from human CB2 expressed in insect Sf9 membranes 21074434
Cannabinoid receptor 1 Ki = 0.3162 nM 9.5 Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in ins... 21316962
Cannabinoid receptor 2 Ki = 0.3162 nM 9.5 Displacement of [3H]-CP55940 from human cannabinoid CB2 receptor expressed in Sf... -
Cannabinoid receptor 1 Ki = 0.3162 nM 9.5 Displacement of [3H]-CP55940 from human cannabinoid CB1 receptor expressed in Sf... -
Cannabinoid receptor 2 Ki = 0.3162 nM 9.5 Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in ins... 21316962
Cannabinoid receptor 2 EC50 = 0.34 nM 9.47 Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... 18680277
Cannabinoid receptor 2 EC50 = 0.35 nM 9.46 Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as reve... 17630726
Cannabinoid receptor 2 EC50 = 0.43 nM 9.37 Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... 18680277

Literature References

PubMed DOI Target Context # Activities
35308023 10.1039/d1md00242b Cannabinoid receptor 1 8
35308023 10.1039/d1md00242b Cannabinoid receptor 2 8
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
21885167 10.1016/j.ejmech.2011.08.021 No relevant target 6
35849804 10.1021/acs.jmedchem.2c00582 Cannabinoid receptor 2 6
33382613 10.1021/acs.jmedchem.0c01023 Cannabinoid receptor 1 5
29939744 10.1021/acs.jmedchem.8b00435 Cannabinoid receptor 1 5
33382613 10.1021/acs.jmedchem.0c01023 Cannabinoid receptor 2 5
27309150 10.1021/acs.jmedchem.6b00397 Cannabinoid receptor 2 4
18666769 10.1021/jm8002203 Cannabinoid receptor 2 4
33550084 10.1016/j.bmc.2021.116035 Cannabinoid receptor 1 4
31756109 10.1021/acs.jmedchem.9b01142 Cannabinoid receptor 1 4
33550084 10.1016/j.bmc.2021.116035 Cannabinoid receptor 2 4
16392793 10.1021/jm050467q Cannabinoid receptor 2 4
19278853 10.1016/j.bmc.2009.02.027 Cannabinoid receptor 1 4
34634617 10.1016/j.bmc.2021.116421 Cannabinoid receptor 1 4
35051750 10.1016/j.ejmech.2021.114027 Cannabinoid receptor 1 4
- 10.1039/C3MD00394A Cannabinoid receptor 1 3
25072877 10.1016/j.ejmech.2014.07.062 Cannabinoid receptor 1 3
18680277 10.1021/jm800463f Cannabinoid receptor 2 3

Data from ChEMBL 36 via Core Engine