Compound Detail
CHEMBL599560
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Basic Information
| ChEMBL ID | CHEMBL599560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDEGMKXLYWAJHX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
381.3
MW (Da)
5.13
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.68
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photosystem II protein D1 CHEMBL2366481 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 43.0 | hr | - |
| T1/2 | 64.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photosystem II protein D1 | IC50 | = | 13400.0 | nM | 4.87 | Inhibition of photosystem II in Spinacia oleracea (spinach) chloroplasts assesse... | 21724391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20060303 | 10.1016/j.bmc.2009.12.055 | Mycobacterium kansasii | 4 |
| 20060303 | 10.1016/j.bmc.2009.12.055 | Mycobacterium tuberculosis | 2 |
| 20060303 | 10.1016/j.bmc.2009.12.055 | Mycobacterium avium | 2 |
| 21724391 | 10.1016/j.bmcl.2011.05.118 | ADMET | 2 |
| 21724391 | 10.1016/j.bmcl.2011.05.118 | No relevant target | 2 |
| 20060303 | 10.1016/j.bmc.2009.12.055 | No relevant target | 1 |
| 21724391 | 10.1016/j.bmcl.2011.05.118 | Photosystem II protein D1 | 1 |
Data from ChEMBL 36 via Core Engine