Compound Detail
CHEMBL1404792
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Basic Information
| ChEMBL ID | CHEMBL1404792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMUWJCVZYFHUEV-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1619624 |
| Active Moiety | CHEMBL1619624 |
7
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
5.39
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 9 meas. best 7.51
IC50 6 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.51 | 5.5975 | 31.0 | 4 |
| BJ CHEMBL614358 | EC50 | 6.43 | 6.0933 | 370.0 | 3 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 6.16 | 5.845 | 686.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.7 | 4.7 | 20100.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 4.36 | 4.36 | 44100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine