Compound Detail
CHEMBL1818669
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Basic Information
| ChEMBL ID | CHEMBL1818669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVFUUTABCMYHIQ-IQMFPIFPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
-2.47
ALogP
7
HBA
6
HBD
136.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-ribosylhomocysteine lyase CHEMBL5171 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-ribosylhomocysteine lyase | IC50 | = | 60000.0 | nM | 4.22 | Competitive inhibition of Bacillus subtilis LuxS preincubated for 15 mins by UV-... | 21855358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21855358 | 10.1016/j.bmc.2011.07.043 | S-ribosylhomocysteine lyase | 3 |
Data from ChEMBL 36 via Core Engine