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Compound Detail

CHEMBL471046

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Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCC(O)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471046
Phase Preclinical
Structure Type MOL
InChI Key MQOQRZFCMHSVRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.41
ALogP
5
HBA
3
HBD
85.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20FN3O3
MW 345.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
19297156 10.1016/j.bmcl.2009.02.115 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
19297156 10.1016/j.bmcl.2009.02.115 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine