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Compound Detail

CHEMBL5080805

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Cc1cc(N[C@H]2CC[C@@H]([N+](=O)[O-])CC2)nc(-n2nc(C)cc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5080805
Phase Preclinical
Structure Type MOL
InChI Key XQMPVWWYJURNSC-OKILXGFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.59
ALogP
7
HBA
1
HBD
98.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N6O2
MW 330.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.02

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