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Compound Detail

CHEMBL4539727

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Cn1c(Cc2ccsc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4539727
Phase Preclinical
Structure Type MOL
InChI Key SGUDOFIPNICANF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
4.51
ALogP
6
HBA
1
HBD
59.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14Cl2N4OS2
MW 413.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -3.16

Data from ChEMBL 36 via Core Engine