Compound Detail
CHEMBL1410383
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COC(=O)CCC(=O)OC1(C)C(=O)C2=CN(C3CC3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O
Basic Information
| ChEMBL ID | CHEMBL1410383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWILRIIIGUBNDA-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.4
MW (Da)
3.45
ALogP
8
HBA
0
HBD
99.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.61 | 4.975 | 2460.0 | 2 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 5.05 | 5.05 | 8955.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.78 | 16700.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.51 | 4.51 | 31100.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.33 | 4.33 | 46188.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine