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Compound Detail

CHEMBL524052

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CN1C(=O)/C(=C2\Nc3ccccc3\C2=N/O)c2ccc(Br)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL524052
Phase Preclinical
Structure Type MOL
InChI Key JUKQKURGZYNHFN-NVVUQHMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.2
MW (Da)
3.44
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrN3O2
MW 370.21
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
27726390 10.1021/acs.jnatprod.6b00285 KCL-22 2
29122482 10.1016/j.bmcl.2017.10.069 HT-22 2

Data from ChEMBL 36 via Core Engine