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Compound Detail

CHEMBL296993

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CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296993
Phase Preclinical
Structure Type MOL
InChI Key OXIMNPYYZPJDBV-SUMWQHHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
3.27
ALogP
4
HBA
3
HBD
52.5
PSA (Ų)
0.71
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 C17H19NO2S
MW 301.41
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.47

Data from ChEMBL 36 via Core Engine