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Compound Detail

CHEMBL3139044

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CCCN1C[C@H](CSC)O[C@@H]2Cc3c(O)cccc3C[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139044
Phase Preclinical
Structure Type MOL
InChI Key SEHZPOBOTHQMOI-FRFSOERESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.5
MW (Da)
2.70
ALogP
4
HBA
1
HBD
32.7
PSA (Ų)
0.93
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 C17H25NO2S
MW 307.46
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.63

Data from ChEMBL 36 via Core Engine