Compound Detail
CHEMBL5425913
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O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2cc(Br)c(Cl)o2)C1
Basic Information
| ChEMBL ID | CHEMBL5425913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFEUWAYIRXUBLH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
583.8
MW (Da)
4.58
ALogP
7
HBA
1
HBD
109.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.62
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CAPAN-1 | IC50 | = | 0.24 | nM | 9.62 | Antiproliferative activity against human CAPAN-1 cells assessed as cell prolifer... | 37605459 |
| CAPAN-1 | IC50 | = | 12.12 | nM | 7.92 | Antiproliferative activity against human Talazoparib-resistant CAPAN-1 cells ass... | 37605459 |
| Unchecked | IC50 | = | 20.33 | nM | 7.69 | Antiproliferative activity against human Olaparib-resistant CAPAN-1 cells assess... | 37605459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37605459 | 10.1021/acs.jmedchem.3c00821 | CAPAN-1 | 2 |
| 37605459 | 10.1021/acs.jmedchem.3c00821 | Poly [ADP-ribose] polymerase 1 | 1 |
| 37605459 | 10.1021/acs.jmedchem.3c00821 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine