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Compound Detail

CHEMBL5090801

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Cc1cc(Nc2cc(C(=O)O)ccc2F)nc(-n2nc(C)cc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5090801
Phase Preclinical
Structure Type MOL
InChI Key NGIDGTBXJDINCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.17
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.76
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 C17H16FN5O2
MW 341.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.22

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