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Compound Detail

CHEMBL4596671

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O=C(OC1C[N+]2(CCSc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596671
Phase Preclinical
Structure Type MOL
InChI Key YDKILWXULISVAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
4.87
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32NO3S+
MW 474.65
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine