Details of the Drug

General Information of Drug (ID: DMP8NSU)

• Drug Name: ADRENOGLOMERULOTROPIN
• Synonyms: Adrenoglomerulotropin; MMTC; 1210-56-6; BRN 0747865; 1-Methyl-6-methoxy-1,2,3,4-tetrahydro-beta-carboline; CHEMBL221811; RDUORFDQRFHYBF-UHFFFAOYSA-N; 6-Methoxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline; 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-methoxy-1-methyl-; 6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole; 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-6-methoxy-1-methyl-; 1-Methyl-6-methoxy-1,2,3,4-tetrahydro-2-carboline; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-1-methyl-; Mmthc

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); 216.28
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H16N2O
  IUPAC Name: 6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
  Canonical SMILES: CC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
  InChI: InChI=1S/C13H16N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
  InChIKey: RDUORFDQRFHYBF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71028
  CAS Number: 1210-56-6
  TTD ID: D07RIQ

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.