Compound Detail
CHEMBL601242
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL601242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPNHFQVBAFEEFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
353.2
MW (Da)
4.35
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photosystem II protein D1 CHEMBL2366481 | IC50 | 5.01 | 5.01 | 9700.0 | 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 | = | 9700.0 | nM | 5.01 | 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 | Photosystem II protein D1 | 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 |
Data from ChEMBL 36 via Core Engine