Details of the Drug

General Information of Drug (ID: DMW9ERM)

• Drug Name: AM-1714
• Synonyms: AM-1714; UNII-E3OY6PCU04; E3OY6PCU04; CHEMBL429797; BWKBVEVEQOCSCF-UHFFFAOYSA-N; 335371-37-4; SCHEMBL3298491; BDBM50228072; 6H-Dibenzo(b,d)pyran-6-one, 3-(1,1-dimethylheptyl)-1,9-dihydroxy-; 3-(1,1-Dimethylheptyl)-1,9-dihydroxy-6H-dibenzo[b,d]pyran-6-one; 1,9-dihydroxy-3-(2-methyloctan-2-yl)-6H-benzo[c]chromen-6-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 354.4
  Logarithm of the Partition Coefficient (xlogp); 6.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H26O4
  IUPAC Name: 1,9-dihydroxy-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)O)O
  InChI: InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3
  InChIKey: BWKBVEVEQOCSCF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9950486
  CAS Number: 335371-37-4
  TTD ID: D0E3ET

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]

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

References

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