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Compound Detail

CHEMBL5498787

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COc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)N(C)O)CCC3)c(F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498787
Phase Preclinical
Structure Type MOL
InChI Key ZPEHKMMPAKZUAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.91
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F2N2O4
MW 402.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine