Compound Detail
CHEMBL241392
NEODIOSPYRIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL241392 |
| Name | NEODIOSPYRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZAXNDGRDVWTFX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.11
ALogP
6
HBA
2
HBD
108.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit A/DNA gyrase subunit B CHEMBL3430898 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit A/DNA gyrase subunit B | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DN... | 27569197 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as reduction in DNA... | 33314932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17888665 | 10.1016/j.bmc.2007.08.064 | Unchecked | 4 |
| 17888665 | 10.1016/j.bmc.2007.08.064 | Mycobacterium tuberculosis | 1 |
| 17888665 | 10.1016/j.bmc.2007.08.064 | Vero | 1 |
| 27569197 | 10.1016/j.ejmech.2016.08.034 | DNA gyrase subunit A/DNA gyrase subunit B | 1 |
| 33314932 | 10.1021/acs.jnatprod.0c00800 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine