Compound Detail
CHEMBL2001923
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O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3cn(Cc4cc(F)c(F)c(F)c4)c4cnccc34)ccc21
Basic Information
| ChEMBL ID | CHEMBL2001923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHMQDWBSDYUPSP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
675.7
MW (Da)
7.94
ALogP
7
HBA
2
HBD
80.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | 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 | = | 19.95 | nM | 7.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| 3-phosphoinositide-dependent protein kinase 1 | Ki | = | 100.0 | nM | 7.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Rho-associated protein kinase 2 | Ki | = | 1000.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| cAMP-dependent protein kinase catalytic subunit PRKX | Ki | = | 1000.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Activated CDC42 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