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name Structure Reference Source Properties Activities Metabolism

Grinimibine

AlkaPlorer ID: AK001359

Synonym: None

IUPAC Name: 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole

Structure

SMILES: CC1=CC2=C(NC3=CC=CC=C32)C2=C1OC(C)(C)C=C2

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InChI: InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3

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InChIKey: GAEQWKVGMHUUKO-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Clausena vestita Clausena Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 263.34

TPSA？: 25.02

MolLogP？: 4.813720000000004

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chlorocebus sabaeus Vero IC50 200000.0 nM 10.1021/np100654m
Escherichia coli Escherichia coli MIC 128.0 ug.mL-1 10.1021/np3000365
Homo sapiens A2780 IC50 50000.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens A-431 IC50 50000.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 18348.9 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 20587.8 nM None
Homo sapiens Bel-7402 IC50 50000.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens BGC-823 IC50 50000.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 50118.7 nM None
Homo sapiens Cellular tumor antigen p53 Potency 10000.0 nM None
Homo sapiens DNA polymerase beta Potency 89125.1 nM None
Homo sapiens Geminin Potency 18356.4 nM None
Homo sapiens Geminin Potency 25929.0 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 28183.8 nM None
Homo sapiens H4 EC50 20557.0 nM None
Homo sapiens HCT-8 IC50 34690.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens HeLa AC50 41341.0 nM None
Homo sapiens HeLa IC50 50000.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens HepG2 IC50 160000.0 nM 10.1016/j.ejmech.2011.10.047
Homo sapiens HepG2 Potency 35481.3 nM None
Homo sapiens KB IC50 7020.0 nM 10.1021/np100654m
Homo sapiens KB IC50 263100.0 nM 10.1021/np3000365
Homo sapiens KETR3 IC50 50000.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens Lysine-specific demethylase 4A Potency 56234.1 nM None
Homo sapiens MCF7 IC50 28800.0 nM 10.1021/np3000365
Homo sapiens MCF7 IC50 49760.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens microRNA 21 Potency 3689.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 14125.4 nM None
Homo sapiens Microtubule-associated protein tau Potency 17782.8 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 22387.2 nM None
Homo sapiens NCI-H187 IC50 22370.0 nM 10.1021/np100654m
Homo sapiens NCI-H187 IC50 58900.0 nM 10.1021/np3000365
Homo sapiens NCI-H460 IC50 27010.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens Niemann-Pick C1 protein Potency 3162.3 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 29092.9 nM None
Homo sapiens Parathyroid hormone receptor Potency 39810.7 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 89125.1 nM None
Homo sapiens Ras-related protein Rab-9A Potency 3162.3 nM None
Homo sapiens SW1990 IC50 50000.0 nM 10.1016/j.bmcl.2020.127739
Homo sapiens TAR DNA-binding protein 43 Potency 28183.8 nM None
Homo sapiens Transcriptional regulator ERG Potency 22387.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23109.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens X-box-binding protein 1 IC50 10000.0 nM None
Human immunodeficiency virus 1 Aberrant vpr protein Potency 25118.9 nM None
Mus musculus DNA damage-inducible transcript 3 protein IC50 10000.0 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 10691.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 657.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 5221.3 nM None
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium MIC nan None 10.1021/np3000365
Staphylococcus aureus Staphylococcus aureus MIC nan None 10.1021/np3000365
None Unchecked AC40 3.804 uM None
None Unchecked EC50 27688.0 nM None
None Unchecked Potency 7079.5 nM None
None Unchecked Potency 16360.1 nM None

Metabolism Information