Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL122965

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122965
Phase Preclinical
Structure Type MOL
InChI Key NRXFEQREXMHQEZ-RTBURBONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
5.16
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26FNO3
MW 407.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
1992138 10.1021/jm00105a057 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine