Compound Detail
CHEMBL3654722
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
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(=O)n(C)c3)c2cn1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL3654722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHKRXGAKPXPOCF-GFCCVEGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.35
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.1588 | nM | 9.8 | IMAP-FP Assay: Activated ERK2 activity was determined in an IMAP-FP assay (Molec... | - |
Data from ChEMBL 36 via Core Engine