Details of the Drug

General Information of Drug (ID: DMJD0UV)

• Drug Name: 3-Hydroxy-3-Methyl-Glutaric Acid
• Synonyms: Meglutol; MEGLUTOL; 3-Hydroxy-3-methylglutaric acid; 503-49-1; Dicrotalic acid; 3-Hydroxy-3-methylpentanedioic acid; Lipoglutaren; Medroglutaric acid; 3-hydroxy-3-methyl-glutaric acid; HMGA; beta-Hydroxy-beta-methylglutaric acid; Meglutolum; Meglutol [USAN:INN]; Meglutolum [INN-Latin]; Pentanedioic acid, 3-hydroxy-3-methyl-; CB-337; CB 337; UNII-CLA99KCD53; 3-Hydroxy-3-methylglutarate; Glutaric acid, 3-hydroxy-3-methyl-; EINECS 207-971-1; NSC 361411; 3-Hydroxymethylglutaric acid; BRN 1769194; CLA99KCD53; CHEMBL50444; CHEBI:16831

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 162.14
  Logarithm of the Partition Coefficient (xlogp); -1.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C6H10O5
  IUPAC Name: 3-hydroxy-3-methylpentanedioic acid
  Canonical SMILES: CC(CC(=O)O)(CC(=O)O)O
  InChI: InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
  InChIKey: NPOAOTPXWNWTSH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1662
  ChEBI ID: CHEBI:16831
  CAS Number: 503-49-1
  DrugBank ID: DB04377
  TTD ID: D0IJ7H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HMG-CoA reductase (HMGCR)	TTPADOQ	HMDH_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
HMG-CoA reductase (HMGCR)	DTT	HMGCR	1.01E-05	0.65	1.53

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.