Compound Detail
CHEMBL4535757
SOTORASIB 💊 Approved Drug
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💊 Approved Drug
C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL4535757 |
| Name | SOTORASIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | NXQKSXLFSAEQCZ-SFHVURJKSA-N |
| Therapeutic | ✓ Yes |
11
Targets
38
Activities
3
Assay Types
29
PK Parameters
20
Publications
7
Known Names
7
Indications
1
Mechanisms
Molecular Properties
560.6
MW (Da)
4.48
ALogP
8
HBA
1
HBD
104.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2021 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| GTPase KRas inhibitor | INHIBITOR | GTPase KRas | ✓ | ✓ |
Indications
Carcinoma, Non-Small-Cell Lung Neoplasms Colorectal Neoplasms Lung Neoplasms Ovarian Neoplasms Liver Diseases Pancreatic Neoplasms
ATC Classification
L01XX73
sotorasib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 33 meas. best 9.0
Ki 3 meas. best 4.91
EC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H358 CHEMBL614135 | IC50 | 9.0 | 8.1988 | 1.0 | 8 |
| SW837 CHEMBL1075596 | IC50 | 8.7 | 8.4233 | 2.0 | 3 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 8.3 | 7.8271 | 5.0 | 7 |
| NCI-H358 CHEMBL614135 | EC50 | 8.22 | 8.205 | 6.0 | 2 |
| GTPase KRas CHEMBL2189121 | IC50 | 8.02 | 7.58 | 9.7 | 4 |
| SOS1-KRAS CHEMBL5465393 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.17 | 6.535 | 68.0 | 2 |
| NCI-H2122 CHEMBL1075533 | IC50 | 7.04 | 6.66 | 90.5 | 2 |
| NCI-H23 CHEMBL614997 | IC50 | 6.95 | 6.385 | 111.5 | 2 |
| NCI-H1373 CHEMBL4296389 | IC50 | 6.45 | 6.45 | 355.7 | 1 |
| NCI-H1792 CHEMBL1075525 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| GTPase KRas CHEMBL2189121 | Ki | 4.91 | 4.49 | 12200.0 | 2 |
| A549 CHEMBL392 | IC50 | 4.44 | 4.37 | 36500.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.07 | 4.07 | 86000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 65300.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 311.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 312.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 9438.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 9451.0 | ng.hr.mL-1 | Mus musculus |
| CL | 26.67 | mL.min-1.kg-1 | Mus musculus |
| CL | 56.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 36.67 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 36.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 1.833 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 13378.28 | nM | Homo sapiens |
| Cmax | 1539.39 | nM | Mus musculus |
| Cmax | 17557.66 | nM | Mus musculus |
| F | 22.0 | % | Mus musculus |
| F | 2.8 | % | Rattus norvegicus |
| F | 0.34 | % | Canis lupus familiaris |
| Fu | 0.06 | - | Mus musculus |
| Fu | 0.05 | - | Rattus norvegicus |
| Fu | 0.17 | - | Canis lupus familiaris |
| Fu | 0.09 | - | Homo sapiens |
| T1/2 | 0.5 | hr | Mus musculus |
| T1/2 | 0.5 | hr | Rattus norvegicus |
| T1/2 | 0.4 | hr | Canis lupus familiaris |
| T1/2 | 3.333 | hr | - |
| T1/2 | 1576800.0 | hr | - |
| T1/2 | 5.5 | hr | Homo sapiens |
| T1/2 | 0.252 | hr | Mus musculus |
| T1/2 | 3.96 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine