Compound Detail
CHEMBL6057411
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CC(C)[C@@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2
Basic Information
| ChEMBL ID | CHEMBL6057411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISFWQMHKGKGWDY-MDMXATFFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
4.60
ALogP
6
HBA
2
HBD
80.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Kd | 9.68 | 9.68 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 | Kd | = | 0.21 | nM | 9.68 | DLK Kd Determinations: A fusion protein of full length of human DLK (amino acids... | - |
Data from ChEMBL 36 via Core Engine