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Compound Detail

CHEMBL355043

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c1nc(Cc2cc3c(s2)CCCC3)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355043
Phase Preclinical
Structure Type MOL
InChI Key ZWXHJFIYTQUPOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
2.94
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2S
MW 218.32
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine