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Compound Detail

CHEMBL1455209

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Cc1nnc(SCC(=O)Nc2sc(C)c(C)c2C#N)nc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1455209
Phase Preclinical
Structure Type MOL
InChI Key DYGVQWXYQBBUKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.17
ALogP
8
HBA
2
HBD
111.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N5O2S2
MW 335.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.90

Data from ChEMBL 36 via Core Engine