Details of the Drug

General Information of Drug (ID: DMO7QUP)

Drug Name
AM-1710
Synonyms
AM-1710; UNII-R0GPP0WDF9; R0GPP0WDF9; CHEMBL266712; 3-(1,1-Dimethylheptyl)-1-hydroxy-9-methoxy-6H-dibenzo(b,d)pyran-6-one; 3-(1,1-Dimethylheptyl)-1-hydroxy-9-methoxy-6H-dibenzo[b,d]pyran-6-one; SCHEMBL3297145; GTPL10202; ZAIKPEWFCSQNQB-UHFFFAOYSA-N; BDBM50228073; AM1710; analog 4b [PMID: 18038967]; 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one; 3-(1',1'-dimethylheptyl)-1-hydroxy-9-methoxy-6h-benzo[c]chromene-6-one; 6H-Dibenzo(b,d)pyran-6-one, 3-(1,1-dimethylheptyl)-1-hydroxy-9-methoxy-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 368.5
Logarithm of the Partition Coefficient (xlogp) 7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H28O4
IUPAC Name
1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one
Canonical SMILES
CCCCCCC(C)(C)C1=CC(=C2C(=C1)OC(=O)C3=C2C=C(C=C3)OC)O
InChI
InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3
InChIKey
ZAIKPEWFCSQNQB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11268660
ChEBI ID
CHEMBL266712
CAS Number
335371-36-3
TTD ID
D04AUM
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 1 (CB1) TT6OEDT CNR1_HUMAN Inhibitor [1]
Cannabinoid receptor 2 (CB2) TTMSFAW CNR2_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 1 (CB1) DTT CNR1 5.59E-02 -0.22 -0.45
Cannabinoid receptor 1 (CB1) DTT CNR1 7.68E-01 -0.06 -0.46
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References

1 Cannabilactones: a novel class of CB2 selective agonists with peripheral analgesic activity. J Med Chem. 2007 Dec 27;50(26):6493-500.