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Compound Detail

CHEMBL4116464

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CC(C)(C)OC(=O)CCCC[N+]1(C)CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116464
Phase Preclinical
Structure Type MOL
InChI Key RONDLEKEXYELIU-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.1
MW (Da)
5.16
ALogP
5
HBA
3
HBD
110.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34ClN4O4S+
MW 522.09
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine