Molecule

Lycogarubin C

AlkaPlorer ID: AK054746

Synonym: None

IUPAC Name: dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate

SMILES: COC(=O)C1=C(C2=CNC3=CC=CC=C23)C(C2=CNC3=CC=CC=C23)=C(C(=O)OC)N1

InChI: InChI=1S/C24H19N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,25-27H,1-2H3

InChIKey: DKTWEIRHZXHFQB-UHFFFAOYSA-N

PubChem CID: 11037060

CAS: 150044-77-2

LOTUS: LTS0222967

COCONUT: CNP0155784

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lycogala epidendrum	Lycogala	Enteridiidae	Liceales	Eumycetozoa	Evosea	None	Eukaryota
Lycogala epidendrum	Lycogala	Enteridiidae	Liceales	Eumycetozoa	Evosea	None	Eukaryota

Molecule Weight: 413.43300000000016

TPSA？: 99.97

MolLogP？: 4.884500000000003

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Herpesviridae sp.	Herpesviridae sp.	IC50	17.2	ug.mL-1	10.1021/np800286d
Homo sapiens	cAMP-dependent protein kinase (PKA)	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Epidermal growth factor receptor erbB1	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Jurkat	IC50	15.3	ug.mL-1	10.1016/j.bmcl.2005.03.103
Homo sapiens	KB 3-1	IC50	25.0	ug.mL-1	10.1016/j.bmcl.2005.03.103
Homo sapiens	Protein kinase C (PKC)	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Serine/threonine-protein kinase EEF2K	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Tyrosine-protein kinase SRC	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Vascular endothelial growth factor receptor 1	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Vascular endothelial growth factor receptor 1	Inhibition	nan	%	10.1016/j.bmcl.2005.03.103
Mus musculus	Transcription factor HES-1	Inhibition	nan	%	10.1016/j.bmcl.2009.07.146