Compound Detail
CHEMBL3913623
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3913623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFQXERGSNIOIJS-AWEZNQCLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.53
ALogP
4
HBA
3
HBD
103.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.48 | 5.48 | 33.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 33.0 | nM | 7.48 | PARP-1 Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modi... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 33000.0 | nM | 4.48 | Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modified fr... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 33000.0 | nM | 4.48 | Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modified fr... | - |
Data from ChEMBL 36 via Core Engine