Compound Detail
CHEMBL3698990
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Basic Information
| ChEMBL ID | CHEMBL3698990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRQRRBLLTSGSRF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
3.94
ALogP
4
HBA
1
HBD
71.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.42
Kd 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3740 | Kd | 7.4 | 7.4 | 40.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3740 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | Kd | = | 40.0 | nM | 7.4 | Biochemical Assay: The assay is based on the use of a probe of formula (IP) that... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 380.0 | nM | 6.42 | Biochemical Assay: Affinity evaluation of the tested compounds and their selecti... | - |
Data from ChEMBL 36 via Core Engine