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Compound Detail

CHEMBL1885548

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COc1ccc(CC(=O)NC2CCSc3ccccc32)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1885548
Phase Preclinical
Structure Type MOL
InChI Key OXNOZGJNGITDQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
3.60
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO3S
MW 343.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine