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Compound Detail

CHEMBL14113

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Oc1cc(-c2ccccn2)nc2cccc(F)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL14113
Phase Preclinical
Structure Type MOL
InChI Key FKJLMNPHRRHQHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

240.2
MW (Da)
3.14
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9FN2O
MW 240.24
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
8164254 10.1021/jm00034a010 Tubulin beta chain 1
8164254 10.1021/jm00034a010 NCI-H226 1
8164254 10.1021/jm00034a010 DMS-114 1
8164254 10.1021/jm00034a010 KM-20L2 1
8164254 10.1021/jm00034a010 OVCAR-3 1
8164254 10.1021/jm00034a010 RXF 393 1
8164254 10.1021/jm00034a010 SK-MEL-5 1
8164254 10.1021/jm00034a010 SF-295 1

Data from ChEMBL 36 via Core Engine