Compound Detail
CHEMBL1369594
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Basic Information
| ChEMBL ID | CHEMBL1369594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBPLXFJNSSUYKH-QINSGFPZSA-N |
5
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.9
MW (Da)
5.70
ALogP
3
HBA
1
HBD
45.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 5.99
IC50 5 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.43 | 6.28 | 370.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.99 | 5.4675 | 1035.0 | 4 |
| BJ CHEMBL614358 | EC50 | 5.43 | 5.2767 | 3713.0 | 3 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.17 | 5.17 | 6770.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.67 | 4.56 | 21190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine