General Information of the Compound
Compound ID
CP0085444
Compound Name
(6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
    Show/Hide
Synonyms
(6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
AM-411
BDBM50169951
CHEMBL434351
    Show/Hide
Structure
Formula
C26H34O2
Molecular Weight
378.556
Canonical SMILES
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2
    Show/Hide
InChI
InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
    Show/Hide
InChIKey
RPBMPWGKZFLMFN-OKFSJJLXSA-N
Physicochemical Property
logP
6.4709
Rotatable Bonds
1
Heavy Atom Count
28
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 9799945
SID: 16575149
ChEMBL ID
CHEMBL434351
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
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 1530 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.8 nM
Protein ID: PT01998, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 52 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AM-411 )
Drug Name AM-411
Target(s)
Cannabinoid receptor 2 (CB2)
Inhibitor
Cannabinoid receptor 1 (CB1)
Inhibitor