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name Structure Reference Source Properties Activities Metabolism

Carbazole

AlkaPlorer ID: AK012058

Synonym: None

IUPAC Name: 9H-carbazole

Structure

SMILES: C1=CC=C2C(=C1)NC1=CC=CC=C12

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InChI: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

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InChIKey: UJOBWOGCFQCDNV-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Murraya koenigii Murraya Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 167.21099999999998

TPSA？: 15.79

MolLogP？: 3.3211000000000013

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agaricus bisporus Tyrosinase Inhibition -2.2 % 10.1016/j.bmc.2013.01.012
Agaricus bisporus Tyrosinase Inhibition -1.8 % 10.1016/j.bmc.2013.01.012
Agaricus bisporus Tyrosinase Inhibition 0.1 % 10.1016/j.bmc.2013.01.012
Agaricus bisporus Tyrosinase Inhibition 1.0 % 10.1016/j.bmc.2013.01.012
Agaricus bisporus Tyrosinase Inhibition 1.7 % 10.1016/j.bmc.2013.01.012
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Potency 35481.3 nM None
Bovine viral diarrhea virus 1 Bovine viral diarrhea virus 1 EC50 64000.0 nM 10.1016/j.bmc.2008.01.052
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens Androgen Receptor Potency 50118.7 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 25118.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Kinesin-like protein 1 Inhibition 10.0 % 10.1021/jm100476d
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 68589.6 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 26603.2 nM None
Homo sapiens Parathyroid hormone receptor Potency 7079.5 nM None
Homo sapiens U-937 IC50 5560.0 nM 10.1021/ml200266v
Staphylococcus aureus Staphylococcus aureus FC 1.0 None 10.1021/acsmedchemlett.1c00680
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1021/acsmedchemlett.1c00680
Staphylococcus aureus Staphylococcus aureus MIC 256.0 ug.mL-1 10.1021/acsmedchemlett.1c00680
Staphylococcus aureus Staphylococcus aureus MIC 512.0 ug.mL-1 10.1021/acsmedchemlett.1c00680
Staphylococcus aureus Staphylococcus aureus MIC 200000.0 nM 10.1021/acsmedchemlett.1c00680
None ADMET Activity 94.2 % 10.1016/j.bmc.2013.01.012
None ADMET Activity 105.0 % 10.1016/j.bmc.2013.01.012
None ADMET Activity 107.5 % 10.1016/j.bmc.2013.01.012
None ADMET Activity 107.8 % 10.1016/j.bmc.2013.01.012
None ADMET CC50 100000.0 nM 10.1016/j.bmc.2008.01.052
None ADMET log Ks 2.44 None 10.1016/j.bmc.2008.11.040
None Erythrocyte Activity 68.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 101.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 130.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 167.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 209.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 265.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 298.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 327.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 364.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 406.0 min 10.1016/j.bmc.2007.01.007
None Unchecked IC50 100000.0 nM 10.1016/j.bmc.2013.01.012
None Unchecked Inhibition 31.3 % 10.1016/j.bmc.2013.01.012
None Unchecked Inhibition 33.5 % 10.1016/j.bmc.2013.01.012
None Unchecked Inhibition 33.8 % 10.1016/j.bmc.2013.01.012
None Unchecked Inhibition 36.8 % 10.1016/j.bmc.2013.01.012
None Unchecked Potency 59557.2 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT024820 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc2c(c1)[nH]c1ccccc12>>OC[C@H]1O[C@H](n2c3ccccc3c3ccccc32)C(O)[C@@H](O)[C@@H]1O enzymemap_85952
AKRT024980 c1ccc2c(c1)[nH]c1ccccc12>>Nc1ccccc1-c1cccc(O)c1O RXN-11511