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Compound Detail

CHEMBL3963487

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COc1sc(C(=O)N[C@H](CN)Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3963487
Phase Preclinical
Structure Type MOL
InChI Key VMCNYPGFXXLUPB-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
3.25
ALogP
6
HBA
2
HBD
82.2
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 C19H20ClFN4O2S
MW 422.91
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine