Compound Detail
CHEMBL60315
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Basic Information
| ChEMBL ID | CHEMBL60315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTYBLOZYHRDDCZ-UKTHLTGXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.89
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 250.0 | nM | 6.6 | Compound is evaluated for inhibitory effect on the generation of Leukotriene B4 ... | 3118023 |
| Rattus norvegicus | IC50 | = | 50000.0 | nM | 4.3 | Compound is evaluated for inhibitory effect on the generation of Prostaglandin E... | 3118023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3118023 | 10.1021/jm00394a011 | Rattus norvegicus | 13 |
| 3118023 | 10.1021/jm00394a011 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine