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Compound Detail

CHEMBL1178072

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

Basic Information

ChEMBL ID CHEMBL1178072
Phase Preclinical
Structure Type MOL
InChI Key DKZSJUMKCSPYMB-FIRIVFDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

563.9
MW (Da)
7.85
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.11
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H55N2O4S+
MW 563.87
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine