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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL221811
CAS Number
1210-56-6
TTD ID
D07RIQ
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.