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Compound Detail

CHEMBL4117282

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C[N+]1(C2CCc3c(sc(NC(=O)Nc4ccc(Cl)cc4)c3C(N)=O)C2)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117282
Phase Preclinical
Structure Type MOL
InChI Key KUIYAVIEXGVKTE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.0
MW (Da)
3.85
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24ClN4O2S+
MW 419.96
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.37

Data from ChEMBL 36 via Core Engine