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Compound Detail

CHEMBL5093708

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

Basic Information

ChEMBL ID CHEMBL5093708
Phase Preclinical
Structure Type MOL
InChI Key MGRQRDPJVVKWSJ-OKILXGFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.28
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22FN5
MW 303.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.07

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