Compound Detail
CHEMBL65742
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Basic Information
| ChEMBL ID | CHEMBL65742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRBIYQSSEMTUJQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
3.67
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KG-1 CHEMBL612264 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.39 | 5.39 | 4030.0 | 1 |
| DNA polymerase catalytic subunit CHEMBL4009 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.7483 | hr | Homo sapiens |
| T1/2 | 0.09167 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KG-1 | IC50 | = | 1230.0 | nM | 5.91 | Cytotoxicity against human KG1 cells incubated for 3 days by CellTiter-Glo lumin... | 31253529 |
| HL-60 | IC50 | = | 1580.0 | nM | 5.8 | Cytotoxicity against human HL60 cells incubated for 3 days by CellTiter-Glo lumi... | 31253529 |
| Unchecked | IC50 | = | 4030.0 | nM | 5.39 | Inhibition of KIX-RLucN fused CBP (unknown origin) binding to KID-RLucC fused CR... | 31253529 |
| DNA polymerase catalytic subunit | IC50 | = | 19000.0 | nM | 4.72 | Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase | 10999475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31253529 | 10.1016/j.bmcl.2019.06.023 | ADMET | 2 |
| 10999475 | 10.1016/s0960-894x(00)00402-9 | DNA polymerase catalytic subunit | 1 |
| 31253529 | 10.1016/j.bmcl.2019.06.023 | HL-60 | 1 |
| 31253529 | 10.1016/j.bmcl.2019.06.023 | KG-1 | 1 |
| 31253529 | 10.1016/j.bmcl.2019.06.023 | Unchecked | 1 |
| 31253529 | 10.1016/j.bmcl.2019.06.023 | Bone marrow cell | 1 |
Data from ChEMBL 36 via Core Engine