Compound Detail
CHEMBL4582651
PRALSETINIB 💊 Approved Drug
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💊 Approved Drug
CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL4582651 |
| Name | PRALSETINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GBLBJPZSROAGMF-RWYJCYHVSA-N |
| Therapeutic | ✓ Yes |
4
Targets
21
Activities
1
Assay Types
6
PK Parameters
16
Publications
11
Known Names
5
Indications
3
Mechanisms
Molecular Properties
533.6
MW (Da)
4.20
ALogP
9
HBA
3
HBD
135.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2020 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase receptor RET inhibitor | INHIBITOR | Proto-oncogene tyrosine-protein kinase receptor Ret | ✓ | ✓ |
| Coiled-coil domain-containing protein 6/Tyrosine-protein kinase receptor RET inhibitor | INHIBITOR | Coiled-coil domain-containing protein 6/Tyrosine-protein kinase receptor RET | ✓ | ✓ |
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET inhibitor | INHIBITOR | Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | ✓ | ✓ |
Indications
Carcinoma, Medullary Carcinoma, Non-Small-Cell Lung Neoplasms Neoplasms Thyroid Neoplasms
ATC Classification
L01EX23
pralsetinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 21 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 9.52 | 9.1638 | 0.3 | 8 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 8.46 | 7.4891 | 3.5 | 11 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 24578.08 | ng.hr.mL-1 | Mus musculus |
| CL | 38.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 5.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 8.6 | mL.min-1.kg-1 | Homo sapiens |
| F | 77.2 | % | Mus musculus |
| Vd | 0.7 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36308779 | 10.1016/j.ejmech.2022.114862 | BaF3 | 11 |
| 34058344 | 10.1016/j.bmcl.2021.128149 | ADMET | 9 |
| 34058344 | 10.1016/j.bmcl.2021.128149 | Proto-oncogene tyrosine-protein kinase receptor Ret | 3 |
| 36395392 | 10.1021/acs.jmedchem.2c01361 | Proto-oncogene tyrosine-protein kinase receptor Ret | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 32882611 | 10.1016/j.ejmech.2020.112755 | Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | 2 |
| 34058344 | 10.1016/j.bmcl.2021.128149 | BaF3 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32882611 | 10.1016/j.ejmech.2020.112755 | Coiled-coil domain-containing protein 6/Tyrosine-protein kinase receptor RET | 1 |
| 32882611 | 10.1016/j.ejmech.2020.112755 | Unchecked | 1 |
| 32882611 | 10.1016/j.ejmech.2020.112755 | BaF3 | 1 |
| 34058344 | 10.1016/j.bmcl.2021.128149 | Tyrosine-protein kinase JAK2 | 1 |
| 34058344 | 10.1016/j.bmcl.2021.128149 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 36308779 | 10.1016/j.ejmech.2022.114862 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
| 38484122 | 10.1021/acs.jmedchem.3c02319 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine