Compound Detail
CHEMBL1173787
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Basic Information
| ChEMBL ID | CHEMBL1173787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVZXSZWCZGKLRS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
2.66
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.24
EC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 4.37 | 4.37 | 42400.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 3.4 | 3.4 | 400000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | EC50 | = | 42400.0 | nM | 4.37 | Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redist... | 21950657 |
| G-protein coupled receptor 35 | IC50 | = | 57000.0 | nM | 4.24 | Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 ... | 21950657 |
| Unchecked | IC50 | = | 400000.0 | nM | 3.4 | Inhibition of Mycobacterium tuberculosis IMPDH deltaCBS mutant assessed as reduc... | 29547284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21950657 | 10.1021/jm200999f | G-protein coupled receptor 35 | 7 |
| 29547284 | 10.1021/acs.jmedchem.7b01622 | Unchecked | 4 |
| 20598892 | 10.1016/j.bmc.2010.05.077 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine