General Information of the Compound
Compound ID
CP0504659
Compound Name
(5-methoxy-1H-indol-3-yl)methanamine
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Synonyms
(5-methoxy-1H-indol-3-yl)methanamine
1-(5-METHOXY-1H-INDOL-3-YL)METHANAMINE
3-(AMINOMETHYL)-5-METHOXYINDOLE
4CH-017193
5-METHOXYINDOLE-3-METHYLAMINE
5-Methoxy-1h-indol-3-methylamine
60523-82-2
9026AB
AJ-76727
AK112525
AKOS005214650
ALBB-030269
AX8104451
BDBM50330861
CHEMBL1276050
CM-1862
CTK5B1636
DB-012273
DTXSID20563182
FCH853008
FT-0691098
KB-43524
MB03907
MolPort-006-831-850
SC-45599
SCHEMBL3976318
ST2402466
ZINC20269183
ZX-AN081076
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Structure
Formula
C10H12N2O
Molecular Weight
176.219
Canonical SMILES
COc1ccc2[nH]cc(CN)c2c1
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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
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InChIKey
CAHOMULUOHSWPI-UHFFFAOYSA-N
Physicochemical Property
logP
1.6352
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
51.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 14702424
ChEMBL ID
CHEMBL1276050
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1617 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (5-methoxy-1H-indol-3-yl)methanamine )
Drug Name (5-methoxy-1H-indol-3-yl)methanamine
Target(s)
5-HT 2B receptor (HTR2B)
Inhibitor