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Compound Detail

CHEMBL3730437

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COc1ccccc1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3730437
Phase Preclinical
Structure Type MOL
InChI Key ATJZJFNKLXGVLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.8
MW (Da)
5.34
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClF2N2O3
MW 404.80
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine