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Compound Detail

CHEMBL3907254

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CCc1sc(C(=O)N[C@H](CN)Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3907254
Phase Preclinical
Structure Type MOL
InChI Key KQHQBDFPSAGKRW-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.9
MW (Da)
3.80
ALogP
5
HBA
2
HBD
72.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClFN4OS
MW 420.94
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.57

Data from ChEMBL 36 via Core Engine