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Compound Detail

CHEMBL1333512

N,N'-DIPHENYL-P-PHENYLENEDIAMINE
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c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1333512
Name N,N'-DIPHENYL-P-PHENYLENEDIAMINE
Phase Preclinical
Structure Type MOL
InChI Key UTGQNNCQYDRXCH-UHFFFAOYSA-N
6
Targets
8
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
5.17
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2
MW 260.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.51

Activity Summary

IC50 5 meas. best 6.85
Ki 2 meas. best 7.05
EC50 1 meas. best 8.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
 EC50 8.11 8.11 7.7 1
5-hydroxytryptamine receptor 2B
CHEMBL1833
 Ki 7.05 7.05 90.0 1
5-hydroxytryptamine receptor 2B
CHEMBL1833
 IC50 6.85 6.85 142.0 1
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 6.58 6.58 260.0 1
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 6.24 6.24 580.0 1
Sodium-dependent noradrenaline transporter
CHEMBL222
 IC50 6.11 6.11 786.0 1
Sodium-dependent noradrenaline transporter
CHEMBL222
 Ki 6.11 6.11 780.0 1
Polyunsaturated fatty acid lipoxygenase ALOX15
CHEMBL4358
 IC50 5.54 5.54 2883.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-22 EC50 = 7.7 nM 8.11 Neuroprotective activity in mouse HT22 cells assessed as protection against glut... 24602904
5-hydroxytryptamine receptor 2B Ki = 90.0 nM 7.05 DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: ... -
5-hydroxytryptamine receptor 2B IC50 = 142.0 nM 6.85 DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: ... -
Prostaglandin G/H synthase 1 IC50 = 260.0 nM 6.58 DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) -
Prostaglandin G/H synthase 2 IC50 = 580.0 nM 6.24 DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) -
Sodium-dependent noradrenaline transporter IC50 = 786.0 nM 6.11 DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-5... -
Sodium-dependent noradrenaline transporter Ki = 780.0 nM 6.11 DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-5... -
Polyunsaturated fatty acid lipoxygenase ALOX15 IC50 = 2883.0 nM 5.54 DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 270
24602904 10.1016/j.bmcl.2014.02.006 HT-22 1

Data from ChEMBL 36 via Core Engine