Compound Detail
CHEMBL5095260
CAMONSERTIB 🧪 Phase II
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🧪 Phase II
C[C@@H]1COCCN1c1cc([C@]2(O)C[C@H]3CC[C@@H](C2)O3)c2cnn(-c3cc[nH]n3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5095260 |
| Name | CAMONSERTIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YIHHYCIYAIVQKX-MBIULKOWSA-N |
2
Targets
3
Activities
1
Assay Types
14
PK Parameters
10
Publications
4
Known Names
2
Indications
Molecular Properties
410.5
MW (Da)
1.90
ALogP
8
HBA
2
HBD
101.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Neoplasms Carcinoma, Non-Small-Cell Lung
Activity Summary
IC50 3 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 9.48 | 9.265 | 0.3 | 2 |
| LoVo CHEMBL614721 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.6 | mL.min-1.g-1 | Homo sapiens |
| CL | 22.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 97.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 11.6 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 26.0 | mL.min-1.g-1 | Macaca mulatta |
| CL | 25.0 | mL.min-1.g-1 | Mus musculus |
| CL | 1.2 | mL.min-1.kg-1 | Mus musculus |
| CL | 10.1 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 14.0 | mL.min-1.kg-1 | Macaca fascicularis |
| F | 66.0 | % | Rattus norvegicus |
| F | 72.0 | % | Mus musculus |
| F | 45.0 | % | Rattus norvegicus |
| F | 113.0 | % | Canis lupus familiaris |
| F | 56.0 | % | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 0.33 | nM | 9.48 | Inhibition of ATR in gemcitabine-stimulated human LoVo cells assessed as decreas... | 38299539 |
| Serine/threonine-protein kinase ATR | IC50 | = | 0.9 | nM | 9.05 | Inhibition of ATR in human HeLa S3 cells assessed as decrease in CHK1 phosphoryl... | 38299539 |
| LoVo | IC50 | = | 28.0 | nM | 7.55 | Cytotoxicity against human LoVo cells assessed as reduction in cell viability in... | 38299539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Unchecked | 229 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | ADMET | 63 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Granta-519 | 4 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Serine/threonine-protein kinase ATR | 3 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Serine/threonine-protein kinase mTOR | 1 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Serine/threonine-protein kinase SMG1 | 1 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | 1 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Serine-protein kinase ATM | 1 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | DNA-dependent protein kinase catalytic subunit | 1 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | LoVo | 1 |
Data from ChEMBL 36 via Core Engine