Molecule

Bauerine C

AlkaPlorer ID: AK027659

Synonym: None

IUPAC Name: 7,8-dichloro-9-methyl-2H-pyrido[3,4-b]indol-1-one

Structure

SMILES: CN1C2=C(Cl)C(Cl)=CC=C2C2=C1C(=O)NC=C2

InChI: InChI=1S/C12H8Cl2N2O/c1-16-10-6(2-3-8(13)9(10)14)7-4-5-15-12(17)11(7)16/h2-5H,1H3,(H,15,17)

InChIKey: JFESWTBLTSUPGK-UHFFFAOYSA-N

Reference

β-Carbolines from the Blue-Green Alga Dichothrix baueriana

PubChem CID: 189883

CAS: 156312-11-7

LOTUS: LTS0139619

COCONUT: CNP0353310

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Dichothrix baueriana	Dichothrix	Rivulariaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 267.115

TPSA？: 37.79

MolLogP？: 3.3266000000000018

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Adaptor-associated kinase	Delta Tm	4.6	degrees C	10.1021/jm201286z
Homo sapiens	BMP-2-inducible protein kinase	Delta Tm	8.2	degrees C	10.1021/jm201286z
Homo sapiens	Casein kinase II alpha (prime)	Delta Tm	2.0	degrees C	10.1021/jm201286z
Homo sapiens	Death-associated protein kinase 3	Delta Tm	3.4	degrees C	10.1021/jm201286z
Homo sapiens	Dual specificity protein kinase CLK4	Delta Tm	3.2	degrees C	10.1021/jm201286z
Homo sapiens	Dual-specificity tyrosine-phosphorylation regulated kinase 2	Delta Tm	4.1	degrees C	10.1021/jm201286z
Homo sapiens	Dual specificty protein kinase CLK1	Delta Tm	4.6	degrees C	10.1021/jm201286z
Homo sapiens	Glycogen synthase kinase-3 beta	Delta Tm	1.4	degrees C	10.1021/jm201286z
Homo sapiens	LoVo	IC50	0.03	ug.mL-1	10.1021/np50105a018
Homo sapiens	Myosin light chain kinase family member 4	Delta Tm	6.4	degrees C	10.1021/jm201286z
Homo sapiens	NAD-dependent deacetylase sirtuin 1	Inhibition	10.0	%	10.1021/jm901055u
Homo sapiens	NAD-dependent deacetylase sirtuin 2	IC50	87200.0	nM	10.1021/jm901055u
Homo sapiens	NAD-dependent deacetylase sirtuin 3	Inhibition	10.0	%	10.1021/jm901055u
Homo sapiens	Protein kinase C gamma	Delta Tm	1.2	degrees C	10.1021/jm201286z
Homo sapiens	Ribosomal protein S6 kinase 1	Delta Tm	4.6	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase 17A	Delta Tm	6.2	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase 17B	Delta Tm	3.6	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase 33	Delta Tm	2.3	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase GAK	Delta Tm	3.3	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase haspin	Delta Tm	3.4	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase PIM1	Delta Tm	4.0	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase PIM2	Delta Tm	2.9	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase PIM3	Delta Tm	3.6	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase PLK1	Delta Tm	1.6	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase PLK4	Delta Tm	1.7	degrees C	10.1021/jm201286z
Homo sapiens	Serine/threonine-protein kinase PRKX	Delta Tm	0.3	degrees C	10.1021/jm201286z
Homo sapiens	TGF-beta receptor type II	Delta Tm	10.1	degrees C	10.1021/jm201286z
Homo sapiens	Tyrosine-protein kinase FES	Delta Tm	0.1	degrees C	10.1021/jm201286z
Human alphaherpesvirus 2	Human alphaherpesvirus 2	IC90	2.5	ug.mL-1	10.1021/np50105a018
None	Unchecked	Delta Tm	4.0	degrees C	10.1021/jm201286z