Compound Detail
CHEMBL5597468
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CC(C)Oc1ccc2c(ccn2C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2O3)c1
Basic Information
| ChEMBL ID | CHEMBL5597468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROSQCRBHAWFCGD-TWMKSMIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
2.95
ALogP
5
HBA
1
HBD
77.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor pathway inhibitor 2 CHEMBL6066240 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor pathway inhibitor 2 | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of His-tagged PP5 (169 to 499 residues) (unknown origin) expressed in... | 39136241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39136241 | 10.1021/acs.jmedchem.4c01304 | Tissue factor pathway inhibitor 2 | 1 |
Data from ChEMBL 36 via Core Engine