Details of the Drug

General Information of Drug (ID: DMM3LET)

• Drug Name: 1-(2-Dimethylamino-ethyl)-1H-indol-4-ol
• Synonyms: CHEMBL194203; 1-(2-dimethylamino-ethyl)-indol-4-ol; 1-(2-Dimethylamino-ethyl)-1H-indol-4-ol; BDBM50171268

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); 204.27
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H16N2O
  IUPAC Name: 1-[2-(dimethylamino)ethyl]indol-4-ol
  Canonical SMILES: CN(C)CCN1C=CC2=C1C=CC=C2O
  InChI: InChI=1S/C12H16N2O/c1-13(2)8-9-14-7-6-10-11(14)4-3-5-12(10)15/h3-7,15H,8-9H2,1-2H3
  InChIKey: PKWAUGJGYFZHOE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44404907
  TTD ID: D07LHD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2C receptor (HTR2C)	TTWJBZ5	5HT2C_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 2C receptor (HTR2C)	DTT	HTR2C	1.02E-02	-0.45	-0.37
5-HT 2C receptor (HTR2C)	DTT	HTR2C	2.27E-01	0.27	0.6

References

• [1] SAR of psilocybin analogs: discovery of a selective 5-HT 2C agonist. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4555-9.