Compound Detail
CHEMBL3702485
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COC[C@@H]1CN(c2noc3c(Cl)c4c(cc23)CC2(C(=O)NC(=O)NC2=O)[C@H]2[C@H](C)O[C@H](C)CN42)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL3702485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHAQMPMGRNLWFU-YFEKEUHLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.9
MW (Da)
1.34
ALogP
10
HBA
2
HBD
152.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit A CHEMBL1858 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit A | IC50 | = | 420.0 | nM | 6.38 | Fluorescence Polarisation Assay: In a black, 384-well polystyrene assay plate, 3... | - |
Data from ChEMBL 36 via Core Engine