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Compound Detail

CHEMBL1179886

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CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179886
Phase Preclinical
Structure Type MOL
InChI Key VWOLXHVDFLPSCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
3.65
ALogP
7
HBA
1
HBD
112.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N3O5S2+
MW 526.66
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.10

Data from ChEMBL 36 via Core Engine