Compound Detail
CHEMBL3692360
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Basic Information
| ChEMBL ID | CHEMBL3692360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDTMXLCGAKGDKL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
1.97
ALogP
5
HBA
2
HBD
85.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | Ki | 7.55 | 7.515 | 28.0 | 2 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | Ki | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 | Ki | = | 28.0 | nM | 7.55 | Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay | 28005357 |
| Mitogen-activated protein kinase kinase kinase 14 | Ki | = | 33.0 | nM | 7.48 | Inhibition Assay: The ability of the nuclear factor-kappa B (NF-kB)-inducing kin... | - |
| PI3-kinase p110-delta/p85-alpha | Ki | = | 216.0 | nM | 6.67 | Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/unt... | 28005357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28005357 | 10.1021/acs.jmedchem.6b01363 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
| 28005357 | 10.1021/acs.jmedchem.6b01363 | No relevant target | 1 |
| 28005357 | 10.1021/acs.jmedchem.6b01363 | PI3-kinase p110-delta/p85-alpha | 1 |
Data from ChEMBL 36 via Core Engine