Compound Detail
CHEMBL470266
ISOSAKUTANETIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL470266 |
| Name | ISOSAKUTANETIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMUJXQRRKBLVOO-AWEZNQCLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.81
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 5.99 | 5.99 | 1024.0 | 1 |
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 5.66 | 5.66 | 2196.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.5 | 5.5 | 3147.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 | IC50 | = | 1024.0 | nM | 5.99 | Inhibition of human CYP1B1 by EROD assay | 20696580 |
| Cytochrome P450 1A1 | IC50 | = | 2196.0 | nM | 5.66 | Inhibition of human CYP1A1 by EROD assay | 20696580 |
| Cytochrome P450 1A2 | IC50 | = | 3147.0 | nM | 5.5 | Inhibition of human CYP1A2 by EROD assay | 20696580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21865046 | 10.1016/j.bmc.2011.07.060 | Unchecked | 7 |
| 21865046 | 10.1016/j.bmc.2011.07.060 | HCT-116 | 5 |
| 1593282 | 10.1021/np50081a012 | Unchecked | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 9287415 | 10.1021/np960581z | L929 | 2 |
| 20696580 | 10.1016/j.bmc.2010.07.020 | Cytochrome P450 1A1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 21865046 | 10.1016/j.bmc.2011.07.060 | NON-PROTEIN TARGET | 1 |
| 20696580 | 10.1016/j.bmc.2010.07.020 | Cytochrome P450 1B1 | 1 |
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 1 |
| 20696580 | 10.1016/j.bmc.2010.07.020 | Cytochrome P450 1A2 | 1 |
| 15568762 | 10.1021/np030530j | Cladosporium sphaerospermum | 1 |
| 15568762 | 10.1021/np030530j | Cladosporium cladosporioides | 1 |
| 8882428 | 10.1021/np960057s | Monocyte | 1 |
| 18302333 | 10.1021/np070417j | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine