Compound Detail
CHEMBL1822872
BTZ-043 🧪 Phase II
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🧪 Phase II
C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
Basic Information
| ChEMBL ID | CHEMBL1822872 |
| Name | BTZ-043 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GTUIRORNXIOHQR-VIFPVBQESA-N |
1
Targets
2
Activities
1
Assay Types
9
PK Parameters
20
Publications
3
Known Names
2
Indications
Molecular Properties
431.4
MW (Da)
3.32
ALogP
8
HBA
0
HBD
94.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Tuberculosis Tuberculosis, Pulmonary
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 7.145 | 5.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4600.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 899.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 693.0 | mL.min-1.g-1 | Mus musculus |
| Cmax | 4636.18 | nM | Mus musculus |
| Cmax | 9163.4 | nM | Mus musculus |
| F | 30.0 | % | Rattus norvegicus |
| T1/2 | 1.2 | hr | Rattus norvegicus |
| T1/2 | 2.3 | hr | Mus musculus |
| Tmax | - | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Mycobacterium smegmatis DprE1 expressed in Escherichia coli Rosett... | 24818517 |
| Unchecked | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL2... | 30336450 |
Literature References
Data from ChEMBL 36 via Core Engine