Compound Detail
CHEMBL1485275
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CCO.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)C3[C@@H](O)C21.Cl.O
Basic Information
| ChEMBL ID | CHEMBL1485275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRXFFFRYNLDYQX-BEQNREIPSA-N |
| Parent Compound | CHEMBL1622130 |
| Active Moiety | CHEMBL1622130 |
3
Targets
11
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
-0.35
ALogP
9
HBA
6
HBD
181.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.17
EC50 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus CHEMBL612313 | EC50 | 6.96 | 6.96 | 109.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.17 | 5.77 | 680.0 | 6 |
| Unchecked CHEMBL612545 | EC50 | 5.34 | 4.8033 | 4585.0 | 3 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.34 | 4.34 | 45329.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine