Compound Detail
CHEMBL4868400
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 | CHEMBL4868400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISIOGRVXKGDUFP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
5.02
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| ATR/ATRIP CHEMBL4106138 | IC50 | 6.5 | 6.5 | 314.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.24 | 6.24 | 572.0 | 1 |
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 12.0 | nM | 7.92 | Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated f... | 34428039 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 26.0 | nM | 7.58 | Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as s... | 34428039 |
| ATR/ATRIP | IC50 | = | 314.0 | nM | 6.5 | Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full ... | 34428039 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 572.0 | nM | 6.24 | Inhibition of mTOR (unknown origin) using biotin-Ahx-PPGDYSTTPGGTLFSTTPGGTRI-ami... | 34428039 |
| Serine-protein kinase ATM | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of full-length N-terminal FLAG-tagged human ATM expressed in HEK293-6... | 34428039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34428039 | 10.1021/acs.jmedchem.1c00762 | DNA-dependent protein kinase catalytic subunit | 1 |
| 34428039 | 10.1021/acs.jmedchem.1c00762 | ATR/ATRIP | 1 |
| 34428039 | 10.1021/acs.jmedchem.1c00762 | Serine-protein kinase ATM | 1 |
| 34428039 | 10.1021/acs.jmedchem.1c00762 | Serine/threonine-protein kinase mTOR | 1 |
| 34428039 | 10.1021/acs.jmedchem.1c00762 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
Data from ChEMBL 36 via Core Engine