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Compound Detail

CHEMBL1196359

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O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196359
Phase Preclinical
Structure Type MOL
InChI Key MTYMLJSBEPCLGC-ULIRXLGVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.7
MW (Da)
4.75
ALogP
5
HBA
1
HBD
55.8
PSA (Ų)
0.33
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 C27H36NO4S+
MW 470.66
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.02

Data from ChEMBL 36 via Core Engine