Phyto4Health

Harman

Representations & DB's id

ChEBI: CHEBI:5623
ChEMBL: CHEMBL12014
PubChem: 5281404
IUPAC: 1-methyl-9H-pyrido[3,4-b]indole
Standard InChI: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
Standard InChI Key: PSFDQSOCUJVVGF-UHFFFAOYSA-N
SMILES: Cc1nccc2c1[nH]c1c2cccc1

Molecular propeties

AlogP: 3.02
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 3
Molecular Weight: 182.08
Topological polar surface area: 28.7
Number of aromatic rings: 3
Fsp3: 0.083
Number of carbons: 12

Plant sources

Part of plant Plant name Ref.
SeedPeganum harmala
SeedPeganum harmala
PlantPolygala tenuifolia
PlantPolygala tenuifolia
PlantPolygala tenuifolia
PlantCapsicum annuum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki86000 nMCytochrome P450 2D6P10635
Others104 %Rho-associated protein kinase 2O75116
Others90 %MAP kinase p38 betaQ15759
Others90 %MAP kinase p38 deltaO15264
Others97 %MAP kinase p38 gammaP53778
Others103 %Serine/threonine-protein kinase PAK 4O96013
Others97 %Serine/threonine-protein kinase PAK7Q9P286
Others105 %Serine/threonine-protein kinase PAK6Q9NQU5
Others90 %3-phosphoinositide dependent protein kinase-1O15530
Others94 %Serine/threonine-protein kinase PIM1P11309
Others85 %Serine/threonine-protein kinase PIM2Q9P1W9
Others80 %Serine/threonine-protein kinase PIM3Q86V86
Others95 %cAMP-dependent protein kinase alpha-catalytic subunitP17612
Others104 %Serine/threonine-protein kinase AKTP31749
Others91 %Serine/threonine-protein kinase AKT2P31751
Others90 %Protein kinase C alphaP17252
Others89 %Protein kinase C zetaQ05513
Others81 %Serine/threonine-protein kinase SRPK1Q96SB4
Others98 %Ribosomal protein S6 kinase alpha 1Q15418
Others94 %Ribosomal protein S6 kinase alpha 3P51812
Others94 %Ribosomal protein S6 kinase 1P23443
Others86 %Serine/threonine-protein kinase Sgk1O00141
Others100 %Myosin light chain kinase, smooth muscleQ15746
Others106 %Serine/threonine-protein kinase Aurora-BQ96GD4
Others87 %Serine/threonine-protein kinase Aurora-CQ9UQB9
Others101 %BR serine/threonine-protein kinase 2Q8IWQ3
Others91 %CaM kinase I alphaQ14012
Others86 %CaM-kinase kinase alphaQ8N5S9
Others93 %CaM-kinase kinase betaQ96RR4
Others99 %Serine/threonine-protein kinase Chk1O14757
Others92 %Serine/threonine-protein kinase Chk2O96017
Others99 %Casein kinase I deltaP48730
Others81 %Tyrosine-protein kinase CSKP41240
Others44 %Dual-specificity tyrosine-phosphorylation regulated kinase 1AQ13627
Others83 %Dual-specificity tyrosine-phosphorylation regulated kinase 2Q92630
Others72 %Dual-specificity tyrosine-phosphorylation regulated kinase 3O43781
Others101 %Serine/threonine-protein kinase EEF2KO00418
Others107 %MAP kinase ERK1P27361
Others95 %MAP kinase ERK2P28482
Others70 %Mitogen-activated protein kinase 15Q8TD08
Others81 %Serine/threonine-protein kinase MST2Q13188
Others79 %Serine/threonine-protein kinase NEK2P51955
Others90 %Serine/threonine-protein kinase NEK6Q9HC98
Others105 %Serine/threonine-protein kinase NEK7Q8TDX7
Others74 %MAP kinase p38 alphaQ16539
Others108 %Glycogen synthase kinase-3 betaP49841
Others104 %Homeodomain-interacting protein kinase 2Q9H2X6
Others104 %Homeodomain-interacting protein kinase 3Q9H422
Others76 %Inhibitor of nuclear factor kappa B kinase beta subunitO14920
Others92 %c-Jun N-terminal kinase 1P45983
Others84 %c-Jun N-terminal kinase 2P45984
Others89 %c-Jun N-terminal kinase 3P53779
Others109 %MAP kinase-activated protein kinase 2P49137
Others104 %MAP kinase-activated protein kinase 3Q16644
Others128 %Serine/threonine-protein kinase c-TAK1P27448
Others82 %Maternal embryonic leucine zipper kinaseQ14680
Others90 %Dual specificity mitogen-activated protein kinase kinase 1Q02750
Others82 %MAP kinase-interacting serine/threonine-protein kinase MNK1Q9BUB5
Others112 %MAP kinase signal-integrating kinase 2Q9HBH9
Others91 %Ribosomal protein S6 kinase alpha 5O75582
Others88 %Protein kinase C muQ15139
Others81 %Serine/threonine-protein kinase PLK1P53350
Others84 %MAP kinase-activated protein kinase 5Q8IW41
Others85 %Protein kinase N2Q16513
Potency1995.3 nMNuclear factor NF-kappa-B p105 subunitP19838
Potency25118.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency15848.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency31622.8 nMLysine-specific demethylase 4D-likeB2RXH2
Potency31622.8 nMLysine-specific demethylase 4D-likeB2RXH2
Potency7943.3 nMLysine-specific demethylase 4D-likeB2RXH2
Potency22387.2 nMLysine-specific demethylase 4D-likeB2RXH2
Potency28183.8 nMLysine-specific demethylase 4D-likeB2RXH2
Potency25118.9 nMThyroid stimulating hormone receptorP16473
Potency28183.8 nMAldehyde dehydrogenase 1A1P00352
Potency31622.8 nMAldehyde dehydrogenase 1A1P00352
Potency25118.9 nMAldehyde dehydrogenase 1A1P00352
Potency11220.2 nMAldehyde dehydrogenase 1A1P00352
Potency28183.8 nMAldehyde dehydrogenase 1A1P00352
Potency31622.8 nMAldehyde dehydrogenase 1A1P00352
Potency562.3 nMMicrotubule-associated protein tauP10636
Potency100000 nMMAP kinase ERK2P28482
Potency1995.3 nMNuclear factor NF-kappa-B p105 subunitP19838
Potency25118.9 nMThyroid stimulating hormone receptorP16473
Potency35481.3 nMDNA-(apurinic or apyrimidinic site) lyaseP27695
Potency19952.6 nMBloom syndrome proteinP54132
Potency31622.8 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency35481.3 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency28183.8 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency12589.3 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency22387.2 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency25118.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency5011.9 nMNeuropeptide S receptorQ6W5P4
Potency10000 nMCytochrome P450 2D6P10635
Potency31622.8 nMCytochrome P450 2D6P10635
Potency10000 nMCytochrome P450 2D6P10635
Potency3981.1 nMCytochrome P450 3A4P08684
Potency3981.1 nMCytochrome P450 3A4P08684
Potency15848.9 nMArachidonate 15-lipoxygenase, type IIO15296
Potency9196.2 nMATPase family AAA domain-containing protein 5Q96QE3
Others43.54 %AcetylcholinesteraseP22303
AC5058370 nMDNA repair and recombination protein RAD54-likeQ92698
Others7.7 %Protein-tyrosine phosphatase 1BP18031