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Compound Detail

CHEMBL3729283

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Cn1nc(-c2cccs2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3729283
Phase Preclinical
Structure Type MOL
InChI Key XAUCCZFBHMGFJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
5.41
ALogP
5
HBA
1
HBD
46.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13F2N3OS2
MW 401.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.15

Data from ChEMBL 36 via Core Engine