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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK323112

Synonym: None

IUPAC Name: N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

Structure

SMILES: COC1=CC=C(Cl)C=C1N=C1NC(C2=C(C)N=C(N=C(O)C(C)(C)C)S2)=CS1

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InChI: InChI=1S/C19H21ClN4O2S2/c1-10-15(28-18(21-10)24-16(25)19(2,3)4)13-9-27-17(23-13)22-12-8-11(20)6-7-14(12)26-5/h6-9H,1-5H3,(H,22,23)(H,21,24,25)

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InChIKey: XERLNCVIGMCAMO-UHFFFAOYSA-N

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Reference

PubChem CID: 11958611

NPASS: NPC480352

Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus sp. Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 436.9900000000002

TPSA？: 82.86

MolLogP？: 6.036620000000004

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Herpes simplex virus (type 1 / strain 17) Alpha trans-inducing protein (VP16) IC50 85396.0 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens Ataxin-2 Potency 7943.3 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 5804.8 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 79432.8 nM None
Homo sapiens COUP transcription factor 2 IC50 11217.0 nM None
Homo sapiens Cystic fibrosis transmembrane conductance regulator Activity nan None 10.1021/jm800533c
Homo sapiens Cystic fibrosis transmembrane conductance regulator Activity nan None 10.1021/np300894y
Homo sapiens Cystic fibrosis transmembrane conductance regulator EC50 700.0 nM 10.1021/jm100235h
Homo sapiens Cystic fibrosis transmembrane conductance regulator EC50 707.95 nM 10.1016/j.ejmech.2017.12.030
Homo sapiens Cystic fibrosis transmembrane conductance regulator EC50 870.0 nM 10.1016/j.bmcl.2014.09.067
Homo sapiens Cystic fibrosis transmembrane conductance regulator Kd 700.0 nM 10.1016/j.bmcl.2008.03.037
Homo sapiens Cystic fibrosis transmembrane conductance regulator Vmax 97.97 microM/s 10.1016/j.bmcl.2014.09.067
Homo sapiens Cystic fibrosis transmembrane conductance regulator Vmax 127.0 microM/s 10.1016/j.bmcl.2008.03.037
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 39810.7 nM None
Homo sapiens DNA polymerase iota Potency 100000.0 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 501.2 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 3981.1 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 19952.6 nM None
Homo sapiens Huntingtin Potency 6309.6 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 56234.1 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 10000.0 nM None
Homo sapiens microRNA 21 Potency 4645.1 nM None
Homo sapiens Microtubule-associated protein tau Potency 12589.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 19952.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 22387.2 nM None
Homo sapiens Muscleblind-like protein 1 Potency 39810.7 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 1835.6 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 4109.5 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 17782.8 nM None
Homo sapiens Prelamin-A/C Potency 3548.1 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 35481.3 nM None
Homo sapiens Serine/threonine-protein kinase PLK1 Potency 23778.1 nM None
Homo sapiens Small ubiquitin-related modifier 1 IC50 7990.0 nM None
Homo sapiens Small ubiquitin-related modifier 1 IC50 66600.0 nM None
Homo sapiens Survival motor neuron protein Potency 5011.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 3662.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 5173.5 nM None
Homo sapiens Vitamin D receptor Potency 63095.7 nM None
Macaca fascicularis T-complex protein 1 subunit beta Potency 100000.0 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 7079.5 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 17782.8 nM None
Plasmodium falciparum Plasmodium falciparum Potency 1651.1 nM None
Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM None
None Unchecked Potency 5011.9 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 11220.2 nM None

Metabolism Information