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Compound Detail

CHEMBL1184504

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CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(=O)CCCC[n+]3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184504
Phase Preclinical
Structure Type MOL
InChI Key FLGLLTQRMUOBKA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

588.7
MW (Da)
5.51
ALogP
6
HBA
2
HBD
113.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30N3O5S2+
MW 588.73
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine