Compound Detail
CHEMBL1738758
ONVANSERTIB 🧪 Phase II
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🧪 Phase II
CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL1738758 |
| Name | ONVANSERTIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QHLVBNKYJGBCQJ-UHFFFAOYSA-N |
167
Targets
199
Activities
2
Assay Types
30
PK Parameters
20
Publications
4
Known Names
6
Indications
1
Mechanisms
Molecular Properties
532.5
MW (Da)
1.92
ALogP
10
HBA
3
HBD
134.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 inhibitor | INHIBITOR | Serine/threonine-protein kinase PLK1 | ✓ | ✓ |
Indications
Carcinoma, Pancreatic Ductal Prostatic Neoplasms, Castration-Resistant Inflammatory Breast Neoplasms Leukemia, Myeloid, Acute Neoplasms Pancreatic Neoplasms
Activity Summary
IC50 198 meas. best 8.7
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 8.7 | 8.45 | 2.0 | 6 |
| MFM-223 CHEMBL1075504 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| AU565 CHEMBL1075393 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| HCC1954 CHEMBL1075459 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| NCI-H2170 CHEMBL1075534 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.82 | 6.8414 | 15.0 | 22 |
| NCI-H82 CHEMBL2366077 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| HCC1806 CHEMBL1075457 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| CAL-51 CHEMBL1075411 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| KU812 cell line CHEMBL613997 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| MDA-MB-435S CHEMBL4483284 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| 697 CHEMBL2366253 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Granta-519 CHEMBL4483240 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| NCI-H526 CHEMBL2366102 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| SU-DHL-8 CHEMBL4523562 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| LCLC-97TM1 CHEMBL1075489 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| SW48 CHEMBL614055 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| NCI-H522 CHEMBL614387 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| SK-BR-3 CHEMBL613834 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| L-363 CHEMBL2366267 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| OPM-2 CHEMBL2366353 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| NCI-H1437 CHEMBL1075513 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| U-266 CHEMBL2366315 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.4 | 7.39 | 40.0 | 2 |
| U-937 CHEMBL612794 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| OVCAR-3 CHEMBL614213 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| EVSA-T CHEMBL614295 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| HCC1419 CHEMBL1075455 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Toledo CHEMBL4296505 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| RS4-11 CHEMBL2366159 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| SU-DHL10 CHEMBL4483268 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| SAOS-2 CHEMBL614894 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| KMS-11 CHEMBL4296454 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| SW-403 CHEMBL6066749 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| DU-4475 CHEMBL2366246 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| SR CHEMBL614300 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| SF-539 CHEMBL614860 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| HEL CHEMBL613888 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| HCC1395 CHEMBL1075454 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| BT-549 CHEMBL614072 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4579.76 | ng.hr.mL-1 | Mus musculus |
| AUC | 7348.91 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2236.63 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 7508.67 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 1065.06 | ng.hr.mL-1 | Mus musculus |
| AUC | 24709.39 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4313.49 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 7881.44 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 165.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 16.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 39.4 | mL.min-1.kg-1 | Mus musculus |
| CL | 20.6 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 43.8 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 11.2 | mL.min-1.kg-1 | Macaca fascicularis |
| Cmax | 8300.0 | nM | Mus musculus |
| Cmax | 6800.0 | nM | Rattus norvegicus |
| Cmax | 1700.0 | nM | Canis lupus familiaris |
| Cmax | 3000.0 | nM | Macaca fascicularis |
| Cmax | 600.0 | nM | Mus musculus |
| Cmax | 4200.0 | nM | Rattus norvegicus |
| Cmax | 1200.0 | nM | Canis lupus familiaris |
| Cmax | 1900.0 | nM | Macaca fascicularis |
| F | 24.0 | % | Mus musculus |
| F | 100.0 | % | Rattus norvegicus |
| F | 63.0 | % | Canis lupus familiaris |
| F | 35.0 | % | Macaca fascicularis |
| T1/2 | 0.9 | hr | Mus musculus |
| T1/2 | 2.7 | hr | Rattus norvegicus |
| T1/2 | 3.9 | hr | Canis lupus familiaris |
| T1/2 | 5.0 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine