Compound Detail
CHEMBL153062
4-NONYLPHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL153062 |
| Name | 4-NONYLPHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGFHQQFPSIBGKE-UHFFFAOYSA-N |
18
Targets
31
Activities
3
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
220.4
MW (Da)
4.69
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 21 meas. best 6.46
Ki 9 meas. best 6.97
Kd 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 6.97 | 6.97 | 108.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 5.3967 | 350.0 | 3 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 CHEMBL4693 | IC50 | 6.46 | 6.46 | 350.0 | 2 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 CHEMBL4523338 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 CHEMBL4523144 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 6.42 | 6.42 | 377.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.97 | 5.97 | 1082.0 | 1 |
| Sex hormone-binding globulin CHEMBL3305 | Kd | 5.92 | 5.92 | 1202.3 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.91 | 5.91 | 1244.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.9 | 5.9 | 1254.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.88 | 5.88 | 1310.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.87 | 5.87 | 1347.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 5.82 | 5.82 | 1505.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.78 | 5.78 | 1649.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.75 | 5.75 | 1795.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 5.72 | 5.72 | 1915.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.59 | 5.59 | 2571.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.59 | 5.59 | 2543.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 5.5 | 5.5 | 3142.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.47 | 5.47 | 3380.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | IC50 | 5.38 | 5.38 | 4190.0 | 1 |
| Substance-K receptor CHEMBL2327 | IC50 | 5.34 | 5.34 | 4514.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.17 | 5.17 | 6780.0 | 1 |
| HSP60/HSP10 CHEMBL4106131 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.94 | 4.94 | 11481.5 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 4.92 | 4.73 | 12000.0 | 2 |
| Thiosulfate sulfurtransferase CHEMBL4295835 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 517 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | Unchecked | 5 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 4 |
| 12459019 | 10.1021/jm010481c | Sulfotransferase 1A1 | 3 |
| 16279782 | 10.1021/jm050567w | L1210 | 2 |
| 32030976 | 10.1021/acs.jmedchem.9b01509 | Unchecked | 2 |
| 32030976 | 10.1021/acs.jmedchem.9b01509 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 2 |
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 18330978 | 10.1021/jm7011485 | Sex hormone-binding globulin | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | Thiosulfate sulfurtransferase | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | HSP60/HSP10 | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | Chaperonin GroEL | 1 |
| 32030976 | 10.1021/acs.jmedchem.9b01509 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | 1 |
| 32030976 | 10.1021/acs.jmedchem.9b01509 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 | 1 |
Data from ChEMBL 36 via Core Engine