Compound Detail
CHEMBL217092
SARACATINIB 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL217092 |
| Name | SARACATINIB |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | OUKYUETWWIPKQR-UHFFFAOYSA-N |
253
Targets
483
Activities
4
Assay Types
14
PK Parameters
20
Publications
4
Known Names
20
Indications
2
Mechanisms
Molecular Properties
542.0
MW (Da)
3.94
ALogP
10
HBA
1
HBD
90.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase ABL inhibitor | INHIBITOR | Tyrosine-protein kinase ABL1 | ✓ | ✓ |
| Tyrosine-protein kinase SRC inhibitor | INHIBITOR | Proto-oncogene tyrosine-protein kinase Src | ✓ | ✓ |
Indications
Alcohol Drinking Alzheimer Disease Breast Neoplasms Breast Neoplasms, Male Carcinoma, Non-Small-Cell Lung Colonic Neoplasms Colorectal Neoplasms Fallopian Tube Neoplasms Lymphangioleiomyomatosis Melanoma Myositis Ossificans Neoplasms Neoplasms Osteosarcoma Ovarian Neoplasms Prostatic Neoplasms, Castration-Resistant Rectal Neoplasms Thymoma Thymus Neoplasms Alcoholism
Activity Summary
IC50 412 meas. best 9.15
Kd 46 meas. best 8.7
EC50 23 meas. best 5.8
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 9.15 | 8.512 | 0.7 | 5 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 9.0 | 8.4164 | 1.0 | 11 |
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Activin receptor type-1 CHEMBL5903 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Kd | 8.05 | 8.05 | 9.0 | 1 |
| Ephrin type-A receptor 1 CHEMBL5810 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Breakpoint cluster region protein CHEMBL5146 | Kd | 7.8 | 7.8 | 16.0 | 1 |
| Bone morphogenetic protein receptor type-1B CHEMBL5476 | Kd | 7.54 | 7.54 | 29.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.52 | 7.52 | 30.0 | 3 |
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984 | Ki | 7.4 | 6.34 | 39.8 | 2 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Kd | 7.28 | 7.28 | 53.0 | 1 |
| Bone morphogenetic protein receptor type-1A CHEMBL5275 | Kd | 7.22 | 7.22 | 60.0 | 1 |
| CTV-1 CHEMBL2366360 | IC50 | 7.21 | 7.21 | 61.4 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.18 | 5.985 | 66.0 | 4 |
| Tyrosine-protein kinase ABL2 CHEMBL4014 | Kd | 7.04 | 7.04 | 91.0 | 1 |
| Tyrosine-protein kinase Yes CHEMBL2073 | Kd | 7.02 | 7.02 | 95.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | Kd | 7.01 | 7.01 | 98.0 | 1 |
| Tyrosine-protein kinase HCK CHEMBL3234 | Kd | 7.0 | 7.0 | 100.0 | 1 |
| Cyclin-G-associated kinase CHEMBL4355 | Kd | 6.97 | 6.97 | 108.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | Kd | 6.95 | 6.95 | 113.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Kd | 6.88 | 6.88 | 132.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Kd | 6.85 | 6.85 | 140.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Activin receptor type-1B CHEMBL5310 | Kd | 6.85 | 6.85 | 142.0 | 1 |
| LAMA-84 CHEMBL2366090 | IC50 | 6.8 | 6.8 | 159.9 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Kd | 6.75 | 6.75 | 178.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | Kd | 6.71 | 6.71 | 197.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.7 | 6.7 | 200.0 | 3 |
| K562 CHEMBL385 | IC50 | 6.66 | 6.505 | 220.0 | 2 |
| MEG-01 CHEMBL2366084 | IC50 | 6.62 | 6.62 | 236.9 | 1 |
| EM-2 CHEMBL2366281 | IC50 | 6.58 | 6.58 | 265.0 | 1 |
| TE-15 CHEMBL2366086 | IC50 | 6.56 | 6.56 | 274.1 | 1 |
| Atypical kinase COQ8A, mitochondrial CHEMBL5550 | Kd | 6.56 | 6.56 | 275.0 | 1 |
| NCI-H1648 CHEMBL2366214 | IC50 | 6.55 | 6.55 | 281.2 | 1 |
| TE-12 CHEMBL2366278 | IC50 | 6.49 | 6.49 | 326.8 | 1 |
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984 | IC50 | 6.38 | 5.69 | 418.0 | 2 |
| LB996-RCC CHEMBL2366110 | IC50 | 6.36 | 6.36 | 442.0 | 1 |
| D-336MG CHEMBL2366113 | IC50 | 6.3 | 6.3 | 503.0 | 1 |
| Protein-tyrosine kinase 6 CHEMBL4601 | Kd | 6.25 | 6.25 | 566.0 | 1 |
| NOS-1 CHEMBL2366141 | IC50 | 6.22 | 6.22 | 605.3 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | Kd | 6.2 | 6.2 | 631.0 | 1 |
| EW-24 CHEMBL2366206 | IC50 | 6.2 | 6.2 | 626.9 | 1 |
| BV-173 CHEMBL2366145 | IC50 | 6.18 | 6.18 | 652.5 | 1 |
| Ephrin type-A receptor 2 CHEMBL2068 | Kd | 6.14 | 6.14 | 729.0 | 1 |
| NCCIT CHEMBL1075511 | IC50 | 6.13 | 6.13 | 732.2 | 1 |
| NCI-H1436 CHEMBL2366205 | IC50 | 6.1 | 6.1 | 790.5 | 1 |
| Tyrosine-protein kinase CSK CHEMBL2634 | IC50 | 6.08 | 6.08 | 840.0 | 3 |
| TE-8 CHEMBL2366182 | IC50 | 6.06 | 6.06 | 872.8 | 1 |
| BB30-HNC CHEMBL2366271 | IC50 | 6.06 | 6.06 | 862.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 12000.0 | ng.hr.mL-1 | Mus musculus |
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 16.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 11.67 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 79.0 | % | Rattus norvegicus |
| F | 92.0 | % | Rattus norvegicus |
| F | 50.0 | % | Canis lupus familiaris |
| Fu | 0.09 | - | Homo sapiens |
| Fu | 0.13 | - | Rattus norvegicus |
| Fu | 0.14 | - | Canis lupus familiaris |
| T1/2 | 5.0 | hr | Rattus norvegicus |
| T1/2 | 5.0 | hr | Rattus norvegicus |
| T1/2 | 7.0 | hr | Canis lupus familiaris |
| T1/2 | 40.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 344 |
| - | 10.6019/CHEMBL4689842 | U2OS | 343 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 340 |
| 18077425 | 10.1073/pnas.0707498104 | NON-PROTEIN TARGET | 222 |
| 18077425 | 10.1073/pnas.0707498104 | COLO | 14 |
| 17360676 | 10.1073/pnas.0611681104 | Dengue virus | 10 |
| 26254279 | 10.18632/oncotarget.4214 | Unchecked | 9 |
| 17064066 | 10.1021/jm060434q | Rattus norvegicus | 9 |
| 18077425 | 10.1073/pnas.0707498104 | HeLa | 7 |
| 17064066 | 10.1021/jm060434q | Canis familiaris | 5 |
| 29941193 | 10.1016/j.bmc.2018.06.027 | Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | 4 |
| 29191878 | 10.1126/science.aan4368 | Unchecked | 4 |
| 29752185 | 10.1016/j.bmcl.2018.05.007 | ADMET | 4 |
| 33970631 | 10.1021/acs.jmedchem.1c00302 | Dengue virus | 3 |
| 17064066 | 10.1021/jm060434q | Unchecked | 3 |
| 17360676 | 10.1073/pnas.0611681104 | dengue virus type 2 | 3 |
| 17064066 | 10.1021/jm060434q | Calu-6 | 3 |
| 17064066 | 10.1021/jm060434q | No relevant target | 3 |
| 17064066 | 10.1021/jm060434q | Mus musculus | 3 |
| 18077425 | 10.1073/pnas.0707498104 | SNG-M | 2 |
Data from ChEMBL 36 via Core Engine