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Compound Detail

CHEMBL91412

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O=C(NC1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1)c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL91412
Phase Preclinical
Structure Type MOL
InChI Key ZAJQYUWPDCAPGD-ANWICMFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

556.6
MW (Da)
3.60
ALogP
9
HBA
6
HBD
165.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28N2O8
MW 556.57
Aromatic Rings 4
Heavy Atoms 41
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
12036372 10.1021/jm020018f Protein kinase C epsilon type 1
12036372 10.1021/jm020018f cAMP-dependent protein kinase catalytic subunit alpha 1

Data from ChEMBL 36 via Core Engine