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Diphenylamine

AlkaPlorer ID: AK009482

Synonym: N-Phenylbenzenamine 

IUPAC Name: N-phenylaniline

Structure

SMILES: C1=CC=C(NC2=CC=CC=C2)C=C1

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InChI: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

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InChIKey: DMBHHRLKUKUOEG-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 169.227

TPSA？: 12.03

MolLogP？: 3.430200000000001

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Potency 31622.8 nM None
Homo sapiens Caco-2 LogP app -4.4 None 10.1016/j.bmc.2007.03.040
Homo sapiens Caco-2 LogP app -4.35 None 10.1016/j.bmc.2007.03.040
Homo sapiens c-Jun N-terminal kinase 1 Inhibition 1.0 % 10.1021/jm200349b
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 2.4 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Epidermal growth factor receptor erbB1 Inhibition 5.0 % 10.1021/jm200349b
Homo sapiens Focal adhesion kinase 1 Inhibition 0.0 % 10.1021/jm200349b
Homo sapiens Glycogen synthase kinase-3 beta Inhibition 13.0 % 10.1021/jm200349b
Homo sapiens Glycoprotein hormones alpha chain Potency 5011.9 nM None
Homo sapiens HepG2 I 20.9 % 10.1021/jm9604989
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 56234.1 nM None
Homo sapiens Inhibitor of nuclear factor kappa B kinase beta subunit Inhibition 0.0 % 10.1021/jm200349b
Homo sapiens Insulin-like growth factor I receptor Inhibition 0.0 % 10.1021/jm200349b
Homo sapiens MAP kinase-activated protein kinase 2 Inhibition 7.0 % 10.1021/jm200349b
Homo sapiens MAP kinase p38 alpha Inhibition 25.0 % 10.1021/jm200349b
Homo sapiens Mitogen-activated protein kinase kinase kinase 5 Inhibition 2.0 % 10.1021/jm200349b
Homo sapiens PI3-kinase p110-alpha subunit Inhibition 20.0 % 10.1021/jm200349b
Homo sapiens PI3-kinase p110-delta subunit Inhibition 7.0 % 10.1021/jm200349b
Homo sapiens PI3-kinase p110-gamma subunit Inhibition 2.0 % 10.1021/jm200349b
Homo sapiens Pyruvate dehydrogenase kinase isoform 1 Inhibition 9.0 % 10.1021/jm200349b
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Inhibition 0.0 % 10.1021/jm200349b
Homo sapiens Receptor protein-tyrosine kinase erbB-4 Inhibition 44.0 % 10.1021/jm200349b
Homo sapiens Rho-associated protein kinase 1 Inhibition 0.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase AKT Inhibition 17.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase AKT2 Inhibition 9.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase Aurora-A Inhibition 0.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase Aurora-B Inhibition 6.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase B-raf Inhibition 6.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase PAK 1 Inhibition 14.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase PAK 2 Inhibition 4.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase PIM1 Inhibition 17.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase RIPK2 Inhibition 6.0 % 10.1021/jm200349b
Homo sapiens Serine/threonine-protein kinase Sgk1 Inhibition 3.0 % 10.1021/jm200349b
Homo sapiens Tyrosine-protein kinase FES Inhibition 9.0 % 10.1021/jm200349b
Homo sapiens Tyrosine-protein kinase ITK/TSK Inhibition 41.0 % 10.1021/jm200349b
Homo sapiens Tyrosine-protein kinase JAK3 Inhibition 2.0 % 10.1021/jm200349b
Homo sapiens Tyrosine-protein kinase SYK Inhibition 8.0 % 10.1021/jm200349b
Homo sapiens U-937 IC50 nan None 10.1021/ml200266v
Homo sapiens UDP-glucuronosyltransferase 1-3 Activity 12.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-8 Activity 15.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1A4 Activity 240.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1A4 Km 240000.0 nM 10.1021/jm020397c
Oryctolagus cuniculus Oryctolagus cuniculus Activity 61.4 % 10.1021/np50035a003
Oryctolagus cuniculus Oryctolagus cuniculus Activity 71.8 mg% 10.1021/np50035a003
Oryctolagus cuniculus Oryctolagus cuniculus Activity 77.2 mg% 10.1021/np50035a003
Oryctolagus cuniculus Oryctolagus cuniculus Activity 80.2 mg% 10.1021/np50035a003
Oryctolagus cuniculus Oryctolagus cuniculus Activity 102.2 mg% 10.1021/np50035a003
Oryctolagus cuniculus Oryctolagus cuniculus Activity 140.2 mg% 10.1021/np50035a003
Oryctolagus cuniculus Oryctolagus cuniculus Activity 154.6 mg% 10.1021/np50035a003
Plasmodium falciparum Plasmodium falciparum Potency 14715.7 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
None ADMET LogP app -5.51 None 10.1016/j.bmc.2007.03.040
None ADMET LogP app -4.82 None 10.1016/j.bmc.2007.03.040
None ADMET Papp 3.1 10^-6 cm/s 10.1016/j.bmc.2007.03.040
None ADMET Papp 15.02 10^-6 cm/s 10.1016/j.bmc.2007.03.040
None ADMET R% 53.0 % 10.1016/j.bmc.2007.03.040
None Erythrocyte Activity 24.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 113.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 167.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 225.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 256.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 257.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 346.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 400.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 458.0 min 10.1016/j.bmc.2007.01.007
None Erythrocyte Activity 489.0 min 10.1016/j.bmc.2007.01.007
None No relevant target CLogP 3.38 None 10.1021/jm9604989
None No relevant target LogD7.4 3.2 None 10.6019/CHEMBL3301361
None No relevant target LogP 2.94 None 10.1021/jm9604989
None No relevant target LogP 3.5 None 10.1016/j.bmc.2007.03.040
None No relevant target Solubility 177800.0 nM 10.6019/CHEMBL3301361
None Unchecked Potency 29092.9 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT024969 c1ccc(Nc2ccccc2)cc1>>Nc1ccccc1 RXN-11506
AKRT024970 c1ccc(Nc2ccccc2)cc1>>Oc1ccccc1O RXN-11506