Compound Detail
CHEMBL2001224
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
Basic Information
| ChEMBL ID | CHEMBL2001224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJKBCVHYFWYIIQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.8
MW (Da)
4.28
ALogP
5
HBA
2
HBD
99.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| SRSF protein kinase 1 CHEMBL4375 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | Ki | = | 10.0 | nM | 8.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Ribosomal protein S6 kinase alpha-3 | Ki | = | 100.0 | nM | 7.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| SRSF protein kinase 1 | Ki | = | 3981.07 | nM | 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine