Details of the Drug

General Information of Drug (ID: DMDZ1FR)

• Drug Name: 1-methyl-1H-indole-3-carbaldehyde
• Synonyms: 1-Methyl-1H-indole-3-carbaldehyde; 19012-03-4; 1-Methylindole-3-carboxaldehyde; 1-methylindole-3-carbaldehyde; 3-Formyl-1-methylindole; 1-Methyl-indole-3-carbaldehyde; 1H-Indole-3-carboxaldehyde, 1-methyl-; 1-Methyl-3-formylindole; N-Methyl-3-formylindole; Indole-3-carboxaldehyde, 1-methyl-; 3-Formyl-1-methyl-1H-indole; CHEMBL210779; N-Methyl-3-indolecarboxaldehyde; KXYBYRKRRGSZCX-UHFFFAOYSA-N; MFCD00014570; 1-Methylindole-3-carboxaldehyde, 97%; NSC83042; EINECS 242-750-3; PubChem7503; AI3-51477; AC1L3EMK; AC1Q6QCU; AC1Q3YTB

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); 159.18
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C10H9NO
  IUPAC Name: 1-methylindole-3-carbaldehyde
  Canonical SMILES: CN1C=C(C2=CC=CC=C21)C=O
  InChI: InChI=1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
  InChIKey: KXYBYRKRRGSZCX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 87894
  CAS Number: 19012-03-4
  TTD ID: D0D1KZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)	TTTB4UP	IMDH2_HUMAN	Inhibitor	[1]

References

• [1] Low molecular weight indole fragments as IMPDH inhibitors. Bioorg Med Chem Lett. 2006 May 1;16(9):2535-8.