Details of the Drug

General Information of Drug (ID: DMM5QXL)

Drug Name
Malonic acid
Synonyms
malonic acid; propanedioic acid; 141-82-2; Dicarboxymethane; Carboxyacetic acid; Methanedicarboxylic acid; Kyselina malonova; USAF EK-695; Dicarboxylate; Dicarboxylic acid; Kyselina malonova [Czech]; PROPANEDIOLIC ACID; UNII-9KX7ZMG0MK; NSC 8124; METAHNEDICARBOXYLIC ACID; Methanedicarbonic acid; Malonic acid, 99%; Thallium malonate; AI3-15375; 1,3-Propanedioic acid; EINECS 205-503-0; 9KX7ZMG0MK; BRN 1751370; DICARBOXYLIC ACID C3; alpha,omega-Dicarboxylic acid; CHEBI:30794; NSC8124; OFOBLEOULBTSOW-UHFFFAOYSA-N; MFCD00002707; malons
Indication
Disease Entry ICD 11 Status REF
Neurodegenerative disorder 8A20-8A23 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 104.06
Logarithm of the Partition Coefficient (xlogp) -0.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C3H4O4
IUPAC Name
propanedioic acid
Canonical SMILES
C(C(=O)O)C(=O)O
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChIKey
OFOBLEOULBTSOW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
867
ChEBI ID
CHEMBL7942
CAS Number
141-82-2
TTD ID
D08JNG
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine Racemase (SRR) TTZFUY6 SRR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of human serine racemase, an emerging target for medicinal chemistry. Curr Drug Targets. 2011 Jun;12(7):1037-55.