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Compound Detail

CHEMBL3942525

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Cn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3942525
Phase Preclinical
Structure Type MOL
InChI Key HZGWIIRICBLSOI-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.9
MW (Da)
3.24
ALogP
5
HBA
2
HBD
72.9
PSA (Ų)
0.68
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 C18H18ClFN4OS
MW 392.89
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.59

Data from ChEMBL 36 via Core Engine