Compound Detail
CHEMBL3699004
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Basic Information
| ChEMBL ID | CHEMBL3699004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYMQVVOWHCVGFF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.86
ALogP
4
HBA
1
HBD
83.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3740 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 80.0 | nM | 7.1 | Biochemical Assay: Affinity evaluation of the tested compounds and their selecti... | - |
Data from ChEMBL 36 via Core Engine