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Compound Detail

CHEMBL277787

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Oc1cc2c(cc1F)[C@H](O)[C@H](N1CCC(O)(c3ccc(F)cc3)CC1)CO2

Basic Information

ChEMBL ID CHEMBL277787
Phase Preclinical
Structure Type MOL
InChI Key YSCGCOIEFKMGTK-APWZRJJASA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.45
ALogP
5
HBA
3
HBD
73.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21F2NO4
MW 377.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.53

Activity Summary

IC50 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.77 7.77 17.0 1
Rattus norvegicus
CHEMBL376
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9544217 10.1021/jm9707986 Unchecked 1
9544217 10.1021/jm9707986 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine