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name Structure Reference Source Properties Activities Metabolism

(3,3-diphenylpropyl)(1-phenylethyl)amine

AlkaPlorer ID: AK468459

Synonym: None

IUPAC Name: 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine

Structure

SMILES: CC(NCCC(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

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InChI: InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3

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InChIKey: NMKSAYKQLCHXDK-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Polyangiaceae Polyangiales None Myxococcota None Bacteria

Properties Information

Molecule Weight: 315.46000000000004

TPSA？: 12.03

MolLogP？: 5.559400000000005

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aliivibrio fischeri Transcriptional activator protein luxR Activity nan None 10.1016/j.bmcl.2010.06.081
Aliivibrio fischeri Transcriptional activator protein luxR IC50 91000.0 nM 10.1016/j.bmcl.2010.06.081
Bos taurus Calmodulin EC50 2100.0 nM 10.1016/j.ejmech.2016.03.045
Bos taurus Calmodulin Kd 500.0 nM 10.1016/j.ejmech.2016.03.045
Bos taurus Calmodulin Kd 2900.0 nM 10.1016/j.ejmech.2016.03.045
Cavia porcellus Voltage-dependent L-type calcium channel subunit alpha-1C IC50 17000.0 nM 10.1002/jat.2784
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 26791.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 25791.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 5894.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens BXPC-3 IC50 28600.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens Caco-2 IC50 14500.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens Calcium sensing receptor EC50 1000.0 nM 10.1016/j.bmcl.2013.01.078
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 5.0 % 10.1021/jm7015683
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 21731.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 9870.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 3482.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HEC-1-A IC50 9480.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens HEC-1B cell line IC50 9800.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens HERG AC50 1300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -35.48 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 4.2 % 10.6019/CHEMBL4808148
Homo sapiens Ishikawa IC50 30000.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens MIA PaCa-2 Activity nan None 10.1016/j.ejmech.2021.113381
Homo sapiens MIA PaCa-2 IC50 9200.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 720.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 780.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 26734.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 6172.5 nM 10.1038/s41467-023-40064-9
Homo sapiens NCI-H1299 IC50 24300.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens NCI-H1975 IC50 30000.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens NCI-H23 IC50 11400.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens NCI-H522 IC50 29600.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens Norepinephrine transporter AC50 3260.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 14946.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 3217.0 nM 10.1021/jm100600y
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None 10.1021/jm2011657
Homo sapiens Serotonin transporter AC50 7935.8 nM 10.1038/s41467-023-40064-9
Homo sapiens SK-CO-1 IC50 7800.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 15.0 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 20.4 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition -118.7 % 10.1021/jm300212s
Homo sapiens Sphingomyelin phosphodiesterase Activity 25.2 % 10.1021/jm070524a
Homo sapiens Sphingomyelin phosphodiesterase IC50 5600.0 nM 10.1016/j.ejmech.2021.113381
Homo sapiens Sphingomyelin phosphodiesterase Inhibition nan % 10.1016/j.ejmech.2021.113381
Homo sapiens Thrombin AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 20689.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Mus musculus MEF IC50 8100.0 nM 10.1016/j.ejmech.2021.113381
Mus musculus MEF IC50 13100.0 nM 10.1016/j.ejmech.2021.113381
Mus musculus MEF IC50 17800.0 nM 10.1016/j.ejmech.2021.113381
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.22 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 3.24 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 86.5 % 10.21203/rs.3.rs-23951/v1
None ADMET LC50 4330.0 nM 10.1016/j.bmc.2013.09.022
None ADMET PPB 98.84 % 10.6019/CHEMBL3301361
None No relevant target LogP 4.89 None 10.1021/jm070524a
None No relevant target pKa 9.04 None 10.1007/s11095-013-1232-z
None No relevant target pKa 9.04 None 10.1016/j.ejmech.2016.03.045
None No relevant target pKa 9.04 None 10.1021/jm070524a
None No relevant target pKa 9.3 None 10.1007/s11095-013-1232-z
None Unchecked Ac50 1.995 uM None
None Unchecked Ac50 2.512 uM None
None Unchecked Ac50 6.108 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked Ac50 43.24 uM None
None Unchecked AC50 1995.3 nM None
None Unchecked AC50 2511.9 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked EC50 4350.0 nM 10.1016/j.bmc.2013.09.022
None Unchecked IC50 10800.0 nM 10.1016/j.ejmech.2021.113381
None Unchecked IC50 11100.0 nM 10.1016/j.ejmech.2021.113381
None Unchecked Inhibition nan % 10.1016/j.ejmech.2021.113381
None Unchecked Ratio 0.99 None 10.1016/j.bmc.2013.09.022

Metabolism Information