Compound Detail
CHEMBL195464
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Basic Information
| ChEMBL ID | CHEMBL195464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQUGYQMEXFENDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.3
MW (Da)
3.43
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) | 15837300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837300 | 10.1016/j.bmcl.2005.03.026 | Poly [ADP-ribose] polymerase 1 | 1 |
| 15837300 | 10.1016/j.bmcl.2005.03.026 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine