Compound Detail
CHEMBL4553146
TBAJ-876 🧪 Phase II
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🧪 Phase II
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2cc(OC)nc(OC)c2OC)cc(OC)n1
Basic Information
| ChEMBL ID | CHEMBL4553146 |
| Name | TBAJ-876 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HHDDKDPLFXIPBX-DLFZDVPBSA-N |
0
Targets
0
Activities
0
Assay Types
6
PK Parameters
11
Publications
1
Known Names
1
Indications
Molecular Properties
657.6
MW (Da)
4.81
ALogP
11
HBA
1
HBD
117.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Tuberculosis, Pulmonary
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5610.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 5600.0 | ng.hr.mL-1 | Mus musculus |
| CL | 13.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 13.0 | mL.min-1.kg-1 | Mus musculus |
| F | 44.0 | % | Mus musculus |
| F | 44.0 | % | Mus musculus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30803745 | 10.1016/j.bmc.2019.02.026 | ADMET | 7 |
| 31810890 | 10.1016/j.bmc.2019.115213 | ADMET | 7 |
| 30803745 | 10.1016/j.bmc.2019.02.026 | Mycobacterium tuberculosis | 3 |
| 31810890 | 10.1016/j.bmc.2019.115213 | Mycobacterium tuberculosis | 3 |
| 30803745 | 10.1016/j.bmc.2019.02.026 | Vero | 1 |
| 30803745 | 10.1016/j.bmc.2019.02.026 | Cytochrome P450 3A4 | 1 |
| 30803745 | 10.1016/j.bmc.2019.02.026 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 30803745 | 10.1016/j.bmc.2019.02.026 | No relevant target | 1 |
| 31810890 | 10.1016/j.bmc.2019.115213 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 31810890 | 10.1016/j.bmc.2019.115213 | Vero | 1 |
| 39191032 | 10.1016/j.ejmech.2024.116785 | Mycobacterium avium | 1 |
Data from ChEMBL 36 via Core Engine