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Compound Detail

CHEMBL3932335

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CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)cc2)sc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3932335
Phase Preclinical
Structure Type MOL
InChI Key ILFKCBDQQRSMIT-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
4.38
ALogP
5
HBA
2
HBD
72.9
PSA (Ų)
0.57
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 C19H19Cl2FN4OS
MW 441.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine