Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4286383

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
C[C@@H](Oc1cncc(-c2cnn(C3CCNCC3)c2)c1)c1c(Cl)ccc(F)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4286383
Phase Preclinical
Structure Type MOL
InChI Key IMMWPDHMKJNXEV-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.3
MW (Da)
5.46
ALogP
5
HBA
1
HBD
52.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21Cl2FN4O
MW 435.33
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
CHEMBL2331064
 IC50 5.03 5.03 9280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 IC50 = 9280.0 nM 5.03 Inhibition of SHIP2 (unknown origin) assessed as decrease in PIP2 production usi... 30103190

Literature References

PubMed DOI Target Context # Activities
30103190 10.1016/j.ejmech.2018.07.071 Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 2

Data from ChEMBL 36 via Core Engine