Compound Detail
CHEMBL14130
P-NITROPHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL14130 |
| Name | P-NITROPHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTJIUGUIPKRLHP-UHFFFAOYSA-N |
2
Targets
6
Activities
3
Assay Types
1
PK Parameters
20
Publications
1
Known Names
Molecular Properties
139.1
MW (Da)
1.30
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Kd 2 meas. best 5.52
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endolysin CHEMBL5206 | Kd | 5.52 | 5.52 | 3000.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.96 | 4.925 | 10994.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endolysin | Kd | = | 3000.0 | nM | 5.52 | Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant ex... | 23473072 |
| MIA PaCa-2 | IC50 | = | 10994.0 | nM | 4.96 | Cytotoxicity against human MIA PaCa2 cells after 4 hrs by MTT assay | 17944451 |
| MIA PaCa-2 | IC50 | = | 12994.0 | nM | 4.89 | Cytotoxicity against human MIA PaCa2 cells after 72 hrs by MTT assay | 17944451 |
Literature References
Data from ChEMBL 36 via Core Engine