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Compound Detail

CHEMBL1197775

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CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197775
Phase Preclinical
Structure Type MOL
InChI Key YFVRWYRQLXSZLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.95
ALogP
2
HBA
0
HBD
13.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16NOS+
MW 270.38
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine