Details of the Drug

General Information of Drug (ID: DMOPMNC)

• Drug Name: (5-methoxy-1H-indol-3-yl)methanamine
• Synonyms: (5-methoxy-1H-indol-3-yl)methanamine; 60523-82-2; 5-Methoxy-1h-indol-3-methylamine; 3-(AMINOMETHYL)-5-METHOXYINDOLE; CHEMBL1276050; 5-METHOXYINDOLE-3-METHYLAMINE; SCHEMBL3976318; CTK5B1636; DTXSID20563182; MolPort-006-831-850; ZX-AN081076; ALBB-030269; FCH853008; BDBM50330861; 9026AB; ZINC20269183; AKOS005214650; MB03907; CM-1862; SC-45599; KB-43524; AJ-76727; AK112525; ST2402466; DB-012273; AX8104451; FT-0691098; 4CH-017193; 1-(5-METHOXY-1H-INDOL-3-YL)METHANAMINE

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); 176.21
  Logarithm of the Partition Coefficient (xlogp); 0.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H12N2O
  IUPAC Name: (5-methoxy-1H-indol-3-yl)methanamine
  Canonical SMILES: COC1=CC2=C(C=C1)NC=C2CN
  InChI: InChI=1S/C10H12N2O/c1-13-8-2-3-10-9(4-8)7(5-11)6-12-10/h2-4,6,12H,5,11H2,1H3
  InChIKey: CAHOMULUOHSWPI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14702424
  CAS Number: 60523-82-2
  TTD ID: D0O7MW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2B receptor (HTR2B)	TT0K1SC	5HT2B_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
5-HT 2B receptor (HTR2B)	DTT	HTR2B	2.08E-01	-0.05	-0.23

References

• [1] Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify no... J Med Chem. 2010 Nov 11;53(21):7573-86.