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Compound Detail

CHEMBL4116859

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CC(C)(C)OC(=O)CCCCC[N+]1(C)CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1

Basic Information

ChEMBL ID CHEMBL4116859
Phase Preclinical
Structure Type MOL
InChI Key WGTZABPXQLBPKI-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

536.1
MW (Da)
5.55
ALogP
5
HBA
3
HBD
110.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36ClN4O4S+
MW 536.12
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine