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Compound Detail

CHEMBL3890228

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Nc1nn2cccnc2c1C(=O)NCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3890228
Phase Preclinical
Structure Type MOL
InChI Key FKLKDNDVFASNQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.9
MW (Da)
3.20
ALogP
7
HBA
2
HBD
107.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17ClN6O2
MW 444.88
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
27660692 10.1021/acsmedchemlett.6b00238 PI3-kinase p110-delta/p85-alpha 1
27660692 10.1021/acsmedchemlett.6b00238 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine