General Information of the Compound
Compound ID
CP0425336
Compound Name
AM4089
    Show/Hide
Structure
Formula
C26H30O3
Molecular Weight
390.523
Canonical SMILES
CC1(C)Oc2cc(cc(O)c2-c2cc(CO)ccc12)C12CC3CC(CC(C3)C1)C2
    Show/Hide
InChI
InChI=1S/C26H30O3/c1-25(2)21-4-3-15(14-27)8-20(21)24-22(28)9-19(10-23(24)29-25)26-11-16-5-17(12-26)7-18(6-16)13-26/h3-4,8-10,16-18,27-28H,5-7,11-14H2,1-2H3
    Show/Hide
InChIKey
JJLMMXFPFUSCCD-UHFFFAOYSA-N
Physicochemical Property
logP
5.6468
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
49.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 71662076
ChEMBL ID
CHEMBL2348473
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
EC50 = 7.97 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 450 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 = 46.7 nM
   TI
   LI
   LO
   TS