Details of the Drug

General Information of Drug (ID: DMHY2RA)

• Drug Name: 2alpha-Hydroxyolean-12-en-28-oic acid
• Synonyms: CHEMBL1077726; 2alpha-Hydroxyolean-12-en-28-oic acid; BDBM50310519; 2alpha-Hydroxyoleana-12-ene-28-oic acid

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); 456.7
  Logarithm of the Partition Coefficient (xlogp); 7.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C30H48O3
  IUPAC Name: (4aS,6aR,6aS,6bR,8aS,11S,12aS,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  Canonical SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H](CC3(C)C)O)C
  InChI: InChI=1S/C30H48O3/c1-25(2)12-14-30(24(32)33)15-13-28(6)20(21(30)18-25)8-9-23-27(5)17-19(31)16-26(3,4)22(27)10-11-29(23,28)7/h8,19,21-23,31H,9-18H2,1-7H3,(H,32,33)/t19-,21-,22-,23+,27-,28+,29+,30-/m0/s1
  InChIKey: UODITNOILLXLOO-DBWGAYEVSA-N
• Cross-matching ID:
  PubChem CID: 44254077
  TTD ID: D0X5YM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen phosphorylase muscle form (GP)	TTZHY6R	PYGM_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
Glycogen phosphorylase muscle form (GP)	DTT	PYGM	2.69E-01	-0.23	-0.14

References

• [1] Synthesis of 3-deoxypentacyclic triterpene derivatives as inhibitors of glycogen phosphorylase. J Nat Prod. 2009 Aug;72(8):1414-8.