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Compound Detail

CHEMBL3237341

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N#Cc1ccc2[nH]cc(C(c3ccc(Cl)c(Cl)c3)c3c[nH]c4ccc(C#N)cc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3237341
Phase Preclinical
Structure Type MOL
InChI Key UUFJLUPAVSLMFE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.3
MW (Da)
6.88
ALogP
2
HBA
2
HBD
79.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H14Cl2N4
MW 441.32
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
24602903 10.1016/j.bmcl.2014.02.015 Beta-glucuronidase 1

Data from ChEMBL 36 via Core Engine