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Compound Detail

CHEMBL4749347

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CSCC[C@H](N)C(=O)NO.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749347
Phase Preclinical
Structure Type MOL
InChI Key LBPPIYLEDXCWGG-WCCKRBBISA-N
Parent Compound CHEMBL1159907
Active Moiety CHEMBL1159907
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

164.2
MW (Da)
-0.43
ALogP
4
HBA
3
HBD
75.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H13ClN2O2S
MW 200.69
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
27624080 10.1016/j.bmcl.2016.09.001 Large neutral amino acids transporter small subunit 1 2

Data from ChEMBL 36 via Core Engine