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Compound Detail

CHEMBL4116858

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NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(C1CCOCC1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116858
Phase Preclinical
Structure Type MOL
InChI Key XSHZBPFHJCQVOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.9
MW (Da)
3.68
ALogP
5
HBA
3
HBD
96.7
PSA (Ų)
0.68
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 C20H23ClN4O3S
MW 434.95
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.75

Data from ChEMBL 36 via Core Engine