Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0D6OH
|
|||
| Former ID |
DIB018265
|
|||
| Drug Name |
[3H]CP55940
|
|||
| Synonyms |
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol; CP55940; CP-55940; UNII-KFY70972J5; CP55,940; CP 55940; CP 55,940; KFY70972J5; 2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol; 83002-04-4; CP-55,940; 83003-12-7; C24H40O3; 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol; Phenol, 5-(1,1-dimethylheptyl)-2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, rel-
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C24H40O3
|
|||
| Canonical SMILES |
CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O
|
|||
| InChI |
1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
|
|||
| InChIKey |
YNZFFALZMRAPHQ-SYYKKAFVSA-N
|
|||
| CAS Number |
CAS 83002-04-4
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
10233661, 11110912, 14926865, 16501872, 17404752, 24278295, 44434471, 47424229, 48169362, 48393922, 50005506, 50104663, 50104664, 50628872, 53777295, 56463013, 57309818, 57337899, 71753421, 90340634, 92303455, 103112294, 103685290, 103966377, 104373169, 113635234, 117557366, 124749526, 124801426, 124886958, 126684044, 129823211, 134343221, 135061075, 135650130, 135651145, 137125085, 142472549, 162247816, 163564143, 164757773, 170481107, 223682617, 226492016, 241182008, 241377543, 250108652, 252457543, 252823772
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cannabinoid receptor 1 (CB1) | Target Info | Agonist | [3], [4] |
| Cannabinoid receptor 2 (CB2) | Target Info | Agonist | [5], [6] | |
| G-protein coupled receptor 55 (GPR55) | Target Info | Agonist | [7] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Rap1 signaling pathway | ||||
| Retrograde endocannabinoid signaling | ||||
| Panther Pathway | Endogenous cannabinoid signaling | |||
| Pathway Interaction Database | N-cadherin signaling events | |||
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Small Ligand GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| BDNF signaling pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 734). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 730). | |||
| REF 3 | Structural features of the central cannabinoid CB1 receptor involved in the binding of the specific CB1 antagonist SR 141716A. J Biol Chem. 1996 Mar 22;271(12):6941-6. | |||
| REF 4 | Synthesis and pharmacological evaluation of coumarin derivatives as cannabinoid receptor antagonists and inverse agonists. Bioorg Med Chem. 2009 Apr 1;17(7):2842-51. | |||
| REF 5 | Signaling pathway associated with stimulation of CB2 peripheral cannabinoid receptor. Involvement of both mitogen-activated protein kinase and induction of Krox-24 expression. Eur J Biochem. 1996 May1;237(3):704-11. | |||
| REF 6 | Tricyclic pyrazoles. 4. Synthesis and biological evaluation of analogues of the robust and selective CB2 cannabinoid ligand 1-(2',4'-dichlorophenyl... J Med Chem. 2006 Dec 14;49(25):7502-12. | |||
| REF 7 | The orphan receptor GPR55 is a novel cannabinoid receptor. Br J Pharmacol. 2007 Dec;152(7):1092-101. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.