Compound Detail
CHEMBL3628655
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Basic Information
| ChEMBL ID | CHEMBL3628655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYTCZHIFJXFDTC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
394.2
MW (Da)
4.59
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 6.06 | 6.06 | 869.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 1 | IC50 | = | 869.0 | nM | 6.06 | Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera... | 32345019 |
| HepG2 | IC50 | = | 7400.0 | nM | 5.13 | Cytotoxicity against human HepG2 cells after 24 hrs by MTT assay | 26526729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26526729 | 10.1016/j.bmc.2015.10.029 | Mycobacterium kansasii | 6 |
| 26526729 | 10.1016/j.bmc.2015.10.029 | Mycobacterium tuberculosis | 2 |
| 26526729 | 10.1016/j.bmc.2015.10.029 | Mycobacterium avium | 2 |
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 1 | 2 |
| 26526729 | 10.1016/j.bmc.2015.10.029 | HepG2 | 1 |
| 26526729 | 10.1016/j.bmc.2015.10.029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine