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name Structure Reference Source Properties Activities Metabolism

Ageloline A

AlkaPlorer ID: AK122456

Synonym: None

IUPAC Name: 7-chloro-4-oxo-1H-quinoline-2-carboxylic acid

Structure

SMILES: O=C(O)C1=CC(=O)C2=CC=C(Cl)C=C2N1

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InChI: InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)

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InChIKey: UAWVRVFHMOSAPU-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 223.615

TPSA？: 70.16

MolLogP？: 1.8797

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 12589.3 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 28183.8 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 35481.3 nM None
Homo sapiens Bloom syndrome protein Potency 17.8 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens HERG Potency 6309.6 nM None
Homo sapiens Histone deacetylase 6 Inhibition -28.24 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -4.35 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 25.1 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 39810.7 nM None
Homo sapiens MAP kinase ERK2 Potency 39.8 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 11220.2 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Prelamin-A/C Potency 1.8 nM None
Homo sapiens Serum albumin HSAI 2.0 None 10.1021/jm970417o
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 93.09 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 89.9 % 10.1124/mol.112.084152
Rattus norvegicus Glutamate NMDA receptor IC50 320.0 nM 10.1016/S0960-894X(01)80897-0
Rattus norvegicus Glutamate NMDA receptor IC50 320.0 nM 10.1021/jm970417o
Rattus norvegicus Glutamate NMDA receptor IC50 400.0 nM 10.1021/jm00173a003
Rattus norvegicus Glutamate NMDA receptor IC50 400.0 nM 10.1021/jm00174a005
Rattus norvegicus Glutamate NMDA receptor IC50 560.0 nM 10.1021/jm00050a001
Rattus norvegicus Glutamate NMDA receptor IC50 560.0 nM 10.1021/jm00089a003
Rattus norvegicus Glutamate NMDA receptor IC50 560.0 nM 10.1021/jm00108a002
Rattus norvegicus Glutamate NMDA receptor IC50 162000.0 nM 10.1021/jm00173a003
Rattus norvegicus Glutamate NMDA receptor IC50 162000.0 nM 10.1021/jm00174a005
Rattus norvegicus Glutamate NMDA receptor IC50 169000.0 nM 10.1021/jm00108a002
Rattus norvegicus Glutamate NMDA receptor Kb 7000.0 nM 10.1021/jm00050a001
Rattus norvegicus Glutamate NMDA receptor Kb 7000.0 nM 10.1021/jm00108a002
Rattus norvegicus Glutamate NMDA receptor -Log 1/Kb 5.15 None 10.1021/jm00108a002
Rattus norvegicus Glutamate NMDA receptor Ratio 405.0 None 10.1021/jm00173a003
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 153000.0 nM 10.1021/jm00108a002
Rattus norvegicus Glutamate receptor ionotropic, AMPA Kb 63000.0 nM 10.1021/jm00108a002
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 1000000.0 nM 10.1021/jm00108a002
Rattus norvegicus Glutamate receptor ionotropic, kainate Kb 50000.0 nM 10.1021/jm00108a002
Rattus norvegicus Glutamate receptors; NMDA/AMPA Kb 7000.0 nM 10.1021/jm00089a003
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 15848.9 nM None
Rattus norvegicus Rattus norvegicus IC50 8000.0 nM 10.1021/jm00173a003
Rattus norvegicus Rattus norvegicus Kb 7000.0 nM 10.1016/S0960-894X(01)80897-0
Rattus norvegicus Vesicular glutamate transporter 3 Ki 590000.0 nM 10.1021/jm010261z
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 31.4 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.19 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 3.9 % 10.21203/rs.3.rs-23951/v1
None NON-PROTEIN TARGET Potency 12589.3 nM None
None No relevant target LogP 1.15 None 10.1021/jm970417o
None Unchecked IC50 8000.0 nM 10.1021/jm00174a005
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Ratio 405.0 None 10.1021/jm00174a005

Metabolism Information