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Compound Detail

CHEMBL315545

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O=C(NC1CNCC1OC(=O)c1cc(O)c(-c2ccccc2C(=O)O)c(O)c1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315545
Phase Preclinical
Structure Type MOL
InChI Key QKOJNKUKBOOOGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

478.5
MW (Da)
2.10
ALogP
8
HBA
6
HBD
165.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O8
MW 478.46
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.38

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