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Compound Detail

CHEMBL3237337

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CSc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3237337
Phase Preclinical
Structure Type MOL
InChI Key IGEIUFCPENOIOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

526.3
MW (Da)
8.08
ALogP
1
HBA
2
HBD
31.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18Br2N2S
MW 526.30
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
24602903 10.1016/j.bmcl.2014.02.015 Beta-glucuronidase 1
37859718 10.1039/d3md00214d Leishmania donovani 1

Data from ChEMBL 36 via Core Engine