Compound Detail
CHEMBL6012475
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CN1C[C@@H](Cc2ccc(Cl)c(F)c2)c2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)cc1n23
Basic Information
| ChEMBL ID | CHEMBL6012475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZOYKNGILOTVCD-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.9
MW (Da)
4.23
ALogP
9
HBA
1
HBD
89.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.6 | nM | 9.22 | ERK-2 Enzymatic Assay: Compounds were tested in an enzymatic assay using human E... | - |
Data from ChEMBL 36 via Core Engine