Compound Detail
CHEMBL1765110
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Basic Information
| ChEMBL ID | CHEMBL1765110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYNGHFUYHYIBOI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.68
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL2794 | IC50 | 4.7 | 4.7 | 19900.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 19900.0 | nM | 4.7 | Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ ... | 21417348 |
| LNCaP | IC50 | = | 42000.0 | nM | 4.38 | Growth inhibition of human LNCAP cells after 7 days by MTS assay | 21417348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417348 | 10.1021/jm1010918 | Poly [ADP-ribose] polymerase 1 | 1 |
| 21417348 | 10.1021/jm1010918 | Poly [ADP-ribose] polymerase 2 | 1 |
| 21417348 | 10.1021/jm1010918 | Unchecked | 1 |
| 21417348 | 10.1021/jm1010918 | HT-29 | 1 |
| 21417348 | 10.1021/jm1010918 | MDA-MB-231 | 1 |
| 21417348 | 10.1021/jm1010918 | LNCaP | 1 |
| 21417348 | 10.1021/jm1010918 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine