Compound Detail
CHEMBL4460625
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
Nc1nccc(-c2cc(-c3nnc[nH]3)c3ncn(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F
Basic Information
| ChEMBL ID | CHEMBL4460625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFMJPNIMDSAFQE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
4.42
ALogP
7
HBA
2
HBD
111.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3K p110 beta/p85 alpha | IC50 | = | 11.0 | nM | 7.96 | Inhibition of full length human His-tagged p110beta/p85alpha using PIP2 as subst... | 30015489 |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 11.0 | nM | 7.96 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 67.0 | nM | 7.17 | Inhibition of full length human p110delta/p85alpha using PIP2 as substrate after... | 30015489 |
| PI3-kinase p110-alpha/p85-alpha | IC50 | = | 233.0 | nM | 6.63 | Inhibition of full length human p110alpha/p85alpha using PIP2 as substrate after... | 30015489 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 440.0 | nM | 6.36 | Inhibition of full length human PI3Kgamma using PIP2 as substrate after 30 mins ... | 30015489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30015489 | 10.1021/acs.jmedchem.8b00797 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 30015489 | 10.1021/acs.jmedchem.8b00797 | PI3K p110 beta/p85 alpha | 1 |
| 30015489 | 10.1021/acs.jmedchem.8b00797 | PI3-kinase p110-delta/p85-alpha | 1 |
| 30015489 | 10.1021/acs.jmedchem.8b00797 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine