Compound Detail
CHEMBL86795
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Basic Information
| ChEMBL ID | CHEMBL86795 |
| Name | INDAZOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAXOFTOLAUCFNW-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
118.1
MW (Da)
1.56
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 3.73
Kd 4 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 5.28 | 5.28 | 5300.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Kd | 4.09 | 4.09 | 81000.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 3.73 | 3.73 | 185000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 5300.0 | nM | 5.28 | Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturb... | 21875802 |
| Indoleamine 2,3-dioxygenase 1 | Kd | = | 81000.0 | nM | 4.09 | Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed... | 31431359 |
| Cyclin-dependent kinase 2 | IC50 | = | 185000.0 | nM | 3.73 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
| Cyclin-dependent kinase 2 | IC50 | = | 185000.0 | nM | 3.73 | Inhibition of CDK2 | 21699136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31431359 | 10.1016/j.bmcl.2019.08.011 | Indoleamine 2,3-dioxygenase 1 | 3 |
| 21699136 | 10.1021/jm200349b | RAC-alpha serine/threonine-protein kinase | 3 |
| 27573544 | 10.1016/j.ejmech.2016.08.026 | Aurora kinase A | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 21699136 | 10.1021/jm200349b | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 21699136 | 10.1021/jm200349b | Tyrosine-protein kinase Fes/Fps | 1 |
| 21699136 | 10.1021/jm200349b | Focal adhesion kinase 1 | 1 |
| 21699136 | 10.1021/jm200349b | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 21699136 | 10.1021/jm200349b | Epidermal growth factor receptor | 1 |
| 21699136 | 10.1021/jm200349b | Serine/threonine-protein kinase B-raf | 1 |
| 21699136 | 10.1021/jm200349b | Aurora kinase B | 1 |
| 21699136 | 10.1021/jm200349b | Aurora kinase A | 1 |
| 2167983 | 10.1021/jm00171a043 | No relevant target | 1 |
| 33557523 | 10.1021/acs.jmedchem.0c01968 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 21334118 | 10.1016/j.ejmech.2011.01.027 | Nitric oxide synthase 1 | 1 |
| 21334118 | 10.1016/j.ejmech.2011.01.027 | Nitric oxide synthase, inducible | 1 |
| 21145740 | 10.1016/j.bmcl.2010.11.060 | Rho-associated protein kinase 1 | 1 |
| 19679481 | 10.1016/j.bmc.2009.07.067 | Nitric oxide synthase 1 | 1 |
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
| 10893304 | 10.1021/jm000017s | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine