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Compound Detail

CHEMBL1196247

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O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196247
Phase Preclinical
Structure Type MOL
InChI Key PMSLDIHTDBABLG-YMVIPVGISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
4.61
ALogP
5
HBA
1
HBD
55.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32NO4S+
MW 478.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine