Compound Detail
CHEMBL3927445
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Basic Information
| ChEMBL ID | CHEMBL3927445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAHUIBDZXNSUMD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
0.99
ALogP
4
HBA
2
HBD
63.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.57 | 5.57 | 27.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 27.0 | nM | 7.57 | PARP-1 Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modi... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 27000.0 | nM | 4.57 | Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modified fr... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 27000.0 | nM | 4.57 | Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modified fr... | - |
Data from ChEMBL 36 via Core Engine