Compound Detail
CHEMBL1417929
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Basic Information
| ChEMBL ID | CHEMBL1417929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXPFGRVEANGYDQ-UHFFFAOYSA-N |
6
Targets
11
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
1.48
ALogP
6
HBA
2
HBD
109.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.68
EC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 7.0 | 7.0 | 101.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.28 | 2640.0 | 3 |
| BJ CHEMBL614358 | EC50 | 5.48 | 5.22 | 3278.0 | 2 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.29 | 5.245 | 5140.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.83 | 4.83 | 14622.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 4.55 | 4.55 | 28332.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine