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Compound Detail

CHEMBL1852781

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O=C(O)[C@]1(O)C=C(OCc2cc3ccc(Cl)cc3s2)[C@@H](O)[C@H](O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852781
Phase Preclinical
Structure Type MOL
InChI Key AZGVCBKSNIUMDH-DIOULYMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.8
MW (Da)
1.90
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClO6S
MW 370.81
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine