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Compound Detail

CHEMBL1194321

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O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194321
Phase Preclinical
Structure Type MOL
InChI Key VUHTYJDJRISPLZ-OTBAGVBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.7
MW (Da)
4.67
ALogP
6
HBA
1
HBD
55.8
PSA (Ų)
0.27
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 C26H30NO4S2+
MW 484.66
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine