Compound Detail
CHEMBL190412
TEGLARINAD CHLORIDE 🧪 Phase II
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🧪 Phase II
COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N/C(=N/C#N)NCCCCCCOc2ccc(Cl)cc2)cc1.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL190412 |
| Name | TEGLARINAD CHLORIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DAHMXVAETAAQOZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181731 |
| Active Moiety | CHEMBL17289 |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
7
Known Names
1
Indications
1
Mechanisms
Molecular Properties
637.1
MW (Da)
3.91
ALogP
10
HBA
2
HBD
145.8
PSA (Ų)
0.03
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase inhibitor | INHIBITOR | Nicotinamide phosphoribosyltransferase | ✓ | ✓ |
Indications
Lymphoma
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NSCLC CHEMBL612554 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.0 | hr | Mus musculus |
| T1/2 | 0.4167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NSCLC | IC50 | = | 0.7943 | nM | 9.1 | Inhibition of NYH Cell line | 15863303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863303 | 10.1016/j.bmcl.2005.03.064 | No relevant target | 2 |
| 15863303 | 10.1016/j.bmcl.2005.03.064 | ADMET | 2 |
| 15863303 | 10.1016/j.bmcl.2005.03.064 | NSCLC | 1 |
| 23679915 | 10.1021/jm4001049 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine