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Compound Detail

CHEMBL3359352

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O=C(O)C(Sc1nc(Cl)nc(Nc2ccc(-c3ccccc3)cc2)n1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359352
Phase Preclinical
Structure Type MOL
InChI Key DIODYZGMWNJADE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.0
MW (Da)
7.01
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H19ClN4O2S
MW 499.00
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
25453800 10.1016/j.bmcl.2014.10.031 RAW264.7 3

Data from ChEMBL 36 via Core Engine