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Compound Detail

CHEMBL1182836

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CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182836
Phase Preclinical
Structure Type MOL
InChI Key LGHNIWKJLDHZEY-ZPGRZCPFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

656.0
MW (Da)
9.15
ALogP
6
HBA
0
HBD
69.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H59N2O5S+
MW 655.97
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine