Compound Detail
CHEMBL2271020
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Basic Information
| ChEMBL ID | CHEMBL2271020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDHBAZHPEVDWMO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
2.80
ALogP
1
HBA
1
HBD
32.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photosystem II protein D1 CHEMBL2366481 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
| Photosystem II protein D1 CHEMBL2366463 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photosystem II protein D1 | IC50 | = | 398.11 | nM | 6.4 | Inhibition of photosystem II mediated electron transport in Spinacia oleracea (s... | - |
| Photosystem II protein D1 | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of photosystem II mediated electron transport in Marchantia polymorph... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1271/bbb.57.1389 | Photosystem II protein D1 | 2 |
| 25516789 | 10.1021/ml500388q | Induced myeloid leukemia cell differentiation protein Mcl-1 | 2 |
| - | 10.1271/bbb.57.1389 | No relevant target | 1 |
| - | 10.1271/bbb.57.1389 | Vigna radiata var. radiata | 1 |
Data from ChEMBL 36 via Core Engine