Compound Detail
CHEMBL3698978
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Basic Information
| ChEMBL ID | CHEMBL3698978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZXKIFDWCMPCMU-KOMQPUFPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
1.76
ALogP
4
HBA
2
HBD
86.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Kd 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3740 | Kd | 7.7 | 7.7 | 20.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3740 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | Kd | = | 20.0 | nM | 7.7 | Biochemical Assay: The assay is based on the use of a probe of formula (IP) that... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 90.0 | nM | 7.05 | Biochemical Assay: Affinity evaluation of the tested compounds and their selecti... | - |
Data from ChEMBL 36 via Core Engine