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Compound Detail

CHEMBL278893

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CC(NC(=O)C(=O)N/N=C1\C[C@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL278893
Phase Preclinical
Structure Type MOL
InChI Key HNQDHHXMKWWUJH-XSJKYCHXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
3.81
ALogP
6
HBA
3
HBD
101.0
PSA (Ų)
0.39
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 C26H23FN4O4
MW 474.49
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
9544215 10.1021/jm9707479 KB 1
9544215 10.1021/jm9707479 A549 1
9544215 10.1021/jm9707479 HCT-8 1
9544215 10.1021/jm9707479 CAKI-1 1
9544215 10.1021/jm9707479 MCF7 1
9544215 10.1021/jm9707479 Tubulin 1

Data from ChEMBL 36 via Core Engine