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Compound Detail

CHEMBL206737

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CC(C)C[C@@H](C#N)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206737
Phase Preclinical
Structure Type MOL
InChI Key CZLFDTRTYWDKOE-HOCLYGCPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
2.18
ALogP
4
HBA
2
HBD
99.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24FN3O3S
MW 369.46
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
16789748 10.1021/jm060157n Homo sapiens 1
16789748 10.1021/jm060157n No relevant target 1
16789748 10.1021/jm060157n Calpain-2 catalytic subunit 1
16789748 10.1021/jm060157n Calpain-1 catalytic subunit 1

Data from ChEMBL 36 via Core Engine