Compound Detail
CHEMBL3639788
TELAGLENASTAT 🧪 Phase II
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🧪 Phase II
O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1
Basic Information
| ChEMBL ID | CHEMBL3639788 |
| Name | TELAGLENASTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PRAAPINBUWJLGA-UHFFFAOYSA-N |
15
Targets
60
Activities
3
Assay Types
26
PK Parameters
20
Publications
2
Known Names
14
Indications
1
Mechanisms
Molecular Properties
571.6
MW (Da)
4.55
ALogP
9
HBA
2
HBD
131.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial inhibitor | INHIBITOR | Glutaminase kidney isoform, mitochondrial | ✓ | ✓ |
Indications
Carcinoma, Non-Small-Cell Lung Carcinoma, Renal Cell Carcinoma, Renal Cell Neurilemmoma Prostatic Neoplasms, Castration-Resistant Triple Negative Breast Neoplasms Uterine Cervical Neoplasms Uterine Cervical Neoplasms Astrocytoma Leukemia, Myeloid, Acute Multiple Myeloma Myelodysplastic Syndromes Neoplasms Precursor Cell Lymphoblastic Leukemia-Lymphoma
Activity Summary
IC50 55 meas. best 9.7
Kd 4 meas. best 7.04
EC50 1 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.7 | 8.0933 | 0.2 | 6 |
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 8.7 | 7.5946 | 2.0 | 24 |
| A549 CHEMBL392 | IC50 | 8.22 | 7.666 | 6.0 | 5 |
| Unchecked CHEMBL612545 | EC50 | 7.78 | 7.78 | 16.4 | 1 |
| Glutaminase kidney isoform, mitochondrial CHEMBL4523110 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 7.55 | 7.04 | 28.0 | 5 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.48 | 7.39 | 33.0 | 2 |
| NCI-H460 CHEMBL396 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| CAKI-1 CHEMBL614067 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | Kd | 7.04 | 6.7025 | 92.0 | 4 |
| HCC1806 CHEMBL1075457 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| MDA-MB-436 CHEMBL4296465 | IC50 | 6.39 | 6.3467 | 410.0 | 3 |
| CT26 CHEMBL613866 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| H22 CHEMBL614998 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
| SW1990 CHEMBL1075592 | IC50 | 4.88 | 4.88 | 13060.0 | 1 |
| HT-1080 CHEMBL614580 | IC50 | 4.35 | 4.35 | 44380.0 | 1 |
| HCC827 CHEMBL4296422 | IC50 | 4.29 | 4.29 | 51420.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2379.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 18862.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2431.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 18928.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 15.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 9.7 | mL.min-1.g-1 | Homo sapiens |
| CL | 12.3 | mL.min-1.g-1 | Mus musculus |
| CL | 135.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 186.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 19.5 | mL.min-1.g-1 | Homo sapiens |
| CL | 35.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 3002.15 | nM | Rattus norvegicus |
| Cmax | 3010.0 | nM | Mus musculus |
| F | 32.0 | % | Rattus norvegicus |
| F | 19.0 | % | Rattus norvegicus |
| Fu | 0.009 | - | Homo sapiens |
| Fu | 0.1029 | - | Mus musculus |
| T1/2 | 1.4 | hr | Homo sapiens |
| T1/2 | 1.05 | hr | Mus musculus |
| T1/2 | 3.7 | hr | Rattus norvegicus |
| T1/2 | 3.2 | hr | Rattus norvegicus |
| T1/2 | 1.524 | hr | Homo sapiens |
| T1/2 | 1.65 | hr | Homo sapiens |
| Vd | 26.1 | L.kg-1 | Rattus norvegicus |
| Vd | 60.9 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine