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Compound Detail

CHEMBL5647421

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N#Cc1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5647421
Phase Preclinical
Structure Type MOL
InChI Key ZVBPPXGSPBELIA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
3.50
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6O
MW 372.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
CHEMBL1908383
 IC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma IC50 = 1.4 nM 8.85 Inhibition of N-terminal 6His-tagged full-length recombinant human PIP5K1C expre... 38746884

Literature References

PubMed DOI Target Context # Activities
38746884 10.1021/acsmedchemlett.4c00090 Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma 1

Data from ChEMBL 36 via Core Engine