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Compound Detail

CHEMBL2441618

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Cc1ccc2nc(C(F)(F)F)cc(N3CCOCC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441618
Phase Preclinical
Structure Type MOL
InChI Key DEPOAGXEHRFHKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.40
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15F3N2O
MW 296.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
24454993 10.1021/ml400312j Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine