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Compound Detail

CHEMBL5083279

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Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(-n2nc(C)cc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5083279
Phase Preclinical
Structure Type MOL
InChI Key WEOHZKHGAWZHDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.15
ALogP
7
HBA
1
HBD
98.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O2
MW 352.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.15

Literature References

PubMed DOI Target Context # Activities
34962403 10.1021/acs.jmedchem.1c01473 Small conductance calcium-activated potassium channel protein 2 1

Data from ChEMBL 36 via Core Engine