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Compound Detail

CHEMBL5075803

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Cc1cc(C)n(-c2cc(Nc3ccc(C(F)(F)F)c(Cl)c3)nc(N)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5075803
Phase Preclinical
Structure Type MOL
InChI Key LABIHYKHHMSVJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.8
MW (Da)
4.28
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.71
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 C16H14ClF3N6
MW 382.78
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.25

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