Compound Detail
CHEMBL5855029
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CC(C)(C)C(=O)ON[C@@H](Cc1ccccc1)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
Basic Information
| ChEMBL ID | CHEMBL5855029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWVKSMSZORBFPB-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
2.66
ALogP
6
HBA
3
HBD
115.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 100000.0 | nM | 4.0 | Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modified fr... | - |
Data from ChEMBL 36 via Core Engine