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Compound Detail

CHEMBL1204802

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O=C(O)c1ccc2c(c1)CCC(Cc1cncs1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204802
Phase Preclinical
Structure Type MOL
InChI Key NVAXXXONABRZPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
3.19
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO2S
MW 273.36
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine