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Compound Detail

CHEMBL4575979

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O=C(NOCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4575979
Phase Preclinical
Structure Type MOL
InChI Key LEHUSVXFBUHXAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
4.54
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18FN3O2
MW 387.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
27515719 10.1016/j.bmc.2016.08.002 HeLa 1
27515719 10.1016/j.bmc.2016.08.002 MCF7 1
27515719 10.1016/j.bmc.2016.08.002 A549 1
27515719 10.1016/j.bmc.2016.08.002 HEK-293T 1
27515719 10.1016/j.bmc.2016.08.002 Dual specificity mitogen-activated protein kinase kinase 1 1

Data from ChEMBL 36 via Core Engine