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Compound Detail

CHEMBL1963243

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c1ccc(CN/C(=N/C2CCCC2)SCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963243
Phase Preclinical
Structure Type MOL
InChI Key XOWPFAUTGJEGMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.5
MW (Da)
4.16
ALogP
3
HBA
2
HBD
53.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N4S
MW 342.51
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine