Compound Detail
CHEMBL3702536
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C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@H]5CN=[N+]=[N-])noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL3702536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDYFDGAKQSHMCQ-OVRAVGDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
1.49
ALogP
10
HBA
2
HBD
192.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit A CHEMBL1858 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit A | IC50 | = | 150.0 | nM | 6.82 | Fluorescence Polarisation Assay: In a black, 384-well polystyrene assay plate, 3... | - |
Data from ChEMBL 36 via Core Engine