Compound Detail
CHEMBL107281
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Basic Information
| ChEMBL ID | CHEMBL107281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VETMUDCRMKPGOI-SNAWJCMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
2.20
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid Delta-isomerase CHEMBL2321641 | Kd | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid Delta-isomerase | Kd | = | 50000.0 | nM | 4.3 | Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry | 23419007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3965710 | 10.1021/jm00379a007 | Mus musculus | 6 |
| 7241510 | 10.1021/jm00137a010 | Mus musculus | 5 |
| 3965710 | 10.1021/jm00379a007 | Rattus norvegicus | 1 |
| 3965710 | 10.1021/jm00379a007 | Unchecked | 1 |
| 23419007 | 10.1021/jm301603n | Steroid Delta-isomerase | 1 |
Data from ChEMBL 36 via Core Engine