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Compound Detail

CHEMBL4650846

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O=C1COc2c(cc(O)cc2C(O)CNCCCc2cccc(C(F)(F)F)c2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650846
Phase Preclinical
Structure Type MOL
InChI Key NLCVIOXNVHXDTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
3.00
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21F3N2O4
MW 410.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine