Compound Detail
CHEMBL3943929
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CC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
Basic Information
| ChEMBL ID | CHEMBL3943929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXHDLDFYYIZXGM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.4
MW (Da)
3.48
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.45 | 7.45 | 35.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 35.52 | nM | 7.45 | Cellular Assay: Based on the preliminary PARP1 inhibition evaluation of compound... | - |
Data from ChEMBL 36 via Core Engine