Compound Detail
CHEMBL5739649
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(C)(N5CCCOCC5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NC4(C(F)F)CC4)c(Cl)c(F)c3F)c21
Basic Information
| ChEMBL ID | CHEMBL5739649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAHWROMIMLGCRU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
783.3
MW (Da)
7.54
ALogP
9
HBA
2
HBD
117.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 0.01 | nM | 11.0 | TBHPK1 IC50 Assay: Ten nanoliters of test compounds dissolved in DMSO at various... | - |
Data from ChEMBL 36 via Core Engine