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Compound Detail

CHEMBL2431999

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C[C@H](NC(=O)c1csc2nc[nH]c(=O)c12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2431999
Phase Preclinical
Structure Type MOL
InChI Key WHMGLTBSOSABIH-VIFPVBQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
2.48
ALogP
4
HBA
2
HBD
74.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3O2S
MW 299.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
23981144 10.1021/jm400718n Unchecked 3

Data from ChEMBL 36 via Core Engine