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Compound Detail

CHEMBL3794118

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N#Cc1ccc(NC(=O)Nc2nc3ccc(Br)cc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3794118
Phase Preclinical
Structure Type MOL
InChI Key FCRISEULGMHPKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.2
MW (Da)
4.57
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9BrN4OS
MW 373.24
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.69

Literature References

PubMed DOI Target Context # Activities
27031211 10.1016/j.ejmech.2016.03.028 Unchecked 3
27031211 10.1016/j.ejmech.2016.03.028 Thoracic aorta 1

Data from ChEMBL 36 via Core Engine