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Compound Detail

CHEMBL4117748

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

Basic Information

ChEMBL ID CHEMBL4117748
Phase Preclinical
Structure Type MOL
InChI Key OZMYNEVSGSKFGF-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.0
MW (Da)
3.68
ALogP
4
HBA
3
HBD
93.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26ClN4O3S+
MW 437.97
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine