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Compound Detail

CHEMBL1998530

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CCC(C(=O)Nc1nnc(SCCOC)s1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1998530
Phase Preclinical
Structure Type MOL
InChI Key QNMDFIVSHZBYKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
3.41
ALogP
6
HBA
1
HBD
64.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O2S2
MW 337.47
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.27

Data from ChEMBL 36 via Core Engine