Compound Detail
CHEMBL4750236
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
CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(Cc3ccccc3)NC4=O)ncnc21
Basic Information
| ChEMBL ID | CHEMBL4750236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSJLFWJQRGTLPZ-NDEPHWFRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
4.48
ALogP
7
HBA
1
HBD
98.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 4.5 | nM | 8.35 | Inhibition of N-terminal His6 tagged recombinant full-length human PI3Kdelta/hum... | 33335668 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 230.0 | nM | 6.64 | Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-i... | 33335668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33335668 | 10.1021/acsmedchemlett.0c00441 | PI3-kinase p110-delta/p85-alpha | 1 |
| 33335668 | 10.1021/acsmedchemlett.0c00441 | Unchecked | 1 |
| 33335668 | 10.1021/acsmedchemlett.0c00441 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine