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Compound Detail

CHEMBL4804097

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N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804097
Phase Preclinical
Structure Type MOL
InChI Key IMLBZMSKQLJBMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.3
MW (Da)
3.31
ALogP
4
HBA
2
HBD
87.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrN3O2S
MW 404.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.00

Data from ChEMBL 36 via Core Engine