Details of the Drug

General Information of Drug (ID: DMPLG4R)

• Drug Name: HU-433
• Synonyms: CB2 activator (osteoporosis); CB2 activator (osteoporosis), Yissum

Indication

Disease Entry	ICD 11	Status	REF
Osteoporosis	FB83.0	Investigative	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 414.6
  Logarithm of the Partition Coefficient (xlogp); 7.4
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C27H42O3
  IUPAC Name: [(1R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
  Canonical SMILES: CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)C2C=C([C@@H]3C[C@H]2C3(C)C)CO)OC
  InChI: InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20?,21-,22+/m0/s1
  InChIKey: CFMRIVODIXTERW-JTGIGXABSA-N
• Cross-matching ID:
  PubChem CID: 59386636
  TTD ID: D0UX4A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cannabinoid receptor 2 (CB2)	TTMSFAW	CNR2_HUMAN	Activator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Osteoporosis
• ICD Disease Classification: FB83.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cannabinoid receptor 2 (CB2)	DTT	CNR2	3.82E-02	-0.43	-1.18

References

• [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. (Target id: 57).