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Compound Detail

CHEMBL3935057

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Cc1cnn(C)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3935057
Phase Preclinical
Structure Type MOL
InChI Key ATGGXNWSNRBMNN-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
3.55
ALogP
5
HBA
2
HBD
72.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClFN4OS
MW 406.91
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.45

Data from ChEMBL 36 via Core Engine