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Compound Detail

CHEMBL91932

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O=C(NC1CCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NC(=O)C(F)(F)F)c(O)c1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91932
Phase Preclinical
Structure Type MOL
InChI Key ILEACBRDEQKZPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

588.5
MW (Da)
3.75
ALogP
9
HBA
6
HBD
182.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23F3N2O9
MW 588.49
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
12036372 10.1021/jm020018f Protein kinase C alpha type 1
12036372 10.1021/jm020018f Protein kinase C beta type 1

Data from ChEMBL 36 via Core Engine