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Compound Detail

CHEMBL3729488

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Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3729488
Phase Preclinical
Structure Type MOL
InChI Key AEYLQNRHBCLWPZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
5.26
ALogP
5
HBA
1
HBD
59.8
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 C20H14ClFN4OS
MW 412.88
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.21

Data from ChEMBL 36 via Core Engine