Compound Detail
CHEMBL3902201
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CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(Cc2ccccc2)c2nnc(C(F)(F)F)n21
Basic Information
| ChEMBL ID | CHEMBL3902201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NONXRXUOTXVDIP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
576.5
MW (Da)
5.26
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 310.0 | nM | 6.51 | ELISA Assay: The HTb-PARP1 positive clones were obtained using the full-length P... | - |
Data from ChEMBL 36 via Core Engine