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Compound Detail

CHEMBL1206387

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O=C(O)C[C@H](O)C[C@H](O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1nnnc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206387
Phase Preclinical
Structure Type MOL
InChI Key CVYRNBSTOXDXMA-NVECHQRWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

518.5
MW (Da)
4.18
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24F2N4O4
MW 518.52
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine