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Compound Detail

CHEMBL2075013

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CSCC[C@H](NC=O)C(=O)N[C@@H](C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2075013
Phase Preclinical
Structure Type MOL
InChI Key GBWVAAKKEIOROG-BQBZGAKWSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
-0.56
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H16N2O4S
MW 248.30
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.26

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
11007306 10.1007/s004240000339 Solute carrier family 15 member 2 1
11007306 10.1007/s004240000339 Solute carrier family 15 member 1 1

Data from ChEMBL 36 via Core Engine