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Compound Detail

CHEMBL1606761

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CSc1nsc(SCC(=O)Nc2cccc(C(C)=O)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1606761
Phase Preclinical
Structure Type MOL
InChI Key ULNMFJXIRILPAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
3.19
ALogP
7
HBA
1
HBD
72.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O2S3
MW 339.47
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.54

Data from ChEMBL 36 via Core Engine