Compound Detail
CHEMBL4113136
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Cn1nncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cc(F)cc(Cl)c3)c(F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4113136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFGRPHAMSUTELF-HXUWFJFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.9
MW (Da)
3.52
ALogP
7
HBA
3
HBD
119.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.26 | 10.015 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.0547 | nM | 10.26 | ERK2 (20 pM) Kinase Assay: Compound potency against activated ERK2 was determine... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.169 | nM | 9.77 | Kinase Assay (New): Compound potency against activated ERK2 is determined using ... | - |
Data from ChEMBL 36 via Core Engine