Compound Detail
CHEMBL269929
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Basic Information
| ChEMBL ID | CHEMBL269929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMZANBKZFJOKDD-YDWXAUTNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
5.11
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 4.19 | 4.19 | 64600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 64600.0 | nM | 4.19 | Cytotoxicity against human KB cells after 72 hrs by MTT assay | 19243951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23800686 | 10.1016/j.bmcl.2013.05.080 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
| 23800686 | 10.1016/j.bmcl.2013.05.080 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 18234497 | 10.1016/j.bmcl.2007.12.068 | J774.A1 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | KB | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
| 24321865 | 10.1016/j.ejmech.2013.10.061 | ADMET | 1 |
| 24321865 | 10.1016/j.ejmech.2013.10.061 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine