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Compound Detail

CHEMBL1447068

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Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1447068
Phase Preclinical
Structure Type MOL
InChI Key ZWKMZXOWMILILP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
0.71
ALogP
8
HBA
1
HBD
91.2
PSA (Ų)
0.83
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 C12H13N5O3S
MW 307.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -3.03

Data from ChEMBL 36 via Core Engine