General Information of the Compound
Compound ID
CP0217979
Compound Name
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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Synonyms
1-Methyl-6-methoxy-1,2,3,4-tetrahydro-2-carboline
1-Methyl-6-methoxy-1,2,3,4-tetrahydro-beta-carboline
1210-56-6
1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-1-methyl-
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-6-methoxy-1-methyl-
6-Methoxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-methoxy-1-methyl-
ADRENOGLOMERULOTROPIN
Adrenoglomerulotropin
BRN 0747865
CHEMBL221811
MMTC
Mmthc
RDUORFDQRFHYBF-UHFFFAOYSA-N
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Structure
Formula
C13H16N2O
Molecular Weight
216.284
Canonical SMILES
COc1ccc2[nH]c3C(C)NCCc3c2c1
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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
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InChIKey
RDUORFDQRFHYBF-UHFFFAOYSA-N
CAS
1210-56-6
Physicochemical Property
logP
2.3832
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
37.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 71028
SID: 15365461
ChEMBL ID
CHEMBL221811
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 491 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ADRENOGLOMERULOTROPIN )
Drug Name ADRENOGLOMERULOTROPIN
Target(s)
5-HT 2B receptor (HTR2B)
 Target Info 
Inhibitor