Compound Detail
CHEMBL1545940
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CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.Cl
Basic Information
| ChEMBL ID | CHEMBL1545940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTJXVDPDEQKTCV-GBTZMIKPSA-N |
| Parent Compound | CHEMBL1624442 |
| Active Moiety | CHEMBL1624442 |
5
Targets
14
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
0.03
ALogP
9
HBA
5
HBD
164.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 7.11
IC50 7 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 7.11 | 7.11 | 78.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 7.02 | 7.02 | 96.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.74 | 6.74 | 184.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.4329 | 1540.0 | 7 |
| Unchecked CHEMBL612545 | EC50 | 5.19 | 4.7 | 6493.0 | 3 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.43 | 4.43 | 37049.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine