General Information of the Compound
Compound ID
CP0019844
Compound Name
7-methoxy-1-methyl-9H-beta-carboline;hydrochloride
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Synonyms
1-Methyl-7-methoxy-beta-carboline
442-51-3
4FHH5G48T7
7-METHOXY-1-METHYL-9H-BETA-CARBOLINE
7-Methoxy-1-methyl-9H-beta-carboline
7-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole
9H-Pyrido(3,4-b)indole, 7-methoxy-1-methyl-
9H-Pyrido[3,4-b]indole, 7-methoxy-1-methyl-
BRN 0178813
Banisterin
Banisterine
Banisterine monohydrate
C13H12N2O
CHEBI:28121
EINECS 207-131-4
Harmin
Harmin hydrochloride
Harmine
Harmine, 98%
Leucoharmine
Telepathin
Telepathine
UNII-4FHH5G48T7
Yagein
Yageine
Yajeine
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Structure
Formula
C13H12N2O
Molecular Weight
212.252
Canonical SMILES
COc1ccc2c(c1)[nH]c1c(C)nccc21
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InChI
InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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InChIKey
BXNJHAXVSOCGBA-UHFFFAOYSA-N
CAS
442-51-3
Physicochemical Property
logP
3.03312
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
37.91
Hydrogen Bond Donor Count
1
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: 5280953
SID: 12015642
ChEMBL ID
CHEMBL269538
DrugBank ID
DB07919
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  1
1
IC50 = 5080 nM
   TI
   LI
   LO
   TS
Protein ID: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8.81 nM
2 IC50 = 21.83 nM
3 IC50 = 27 nM
4 IC50 = 29 nM
5 IC50 = 30 nM
6 IC50 = 32 nM
7 IC50 = 33 nM
8 IC50 = 56 nM
9 IC50 = 60 nM
10 IC50 = 80 nM
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 32100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 32100 nM
2 IC50 > 50000 nM
Clinical Information about the Compound
Drug 1 ( Harmine )
Drug Name Harmine
Target(s)
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (DYRK2)
Inhibitor
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A)
Inhibitor
Dual-specificity tyrosine-phosphorylation regulated kinase 3 (DYRK3)
Inhibitor
Monoamine oxidase type A (MAO-A)
Inhibitor