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Compound Detail

CHEMBL420743

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CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NCCS)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420743
Phase Preclinical
Structure Type MOL
InChI Key AVPHNXYWKJFMRS-LSDHHAIUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.5
MW (Da)
1.73
ALogP
4
HBA
4
HBD
78.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26N2O3S
MW 338.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3184127 10.1021/jm00119a023 Unchecked 1

Data from ChEMBL 36 via Core Engine