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Compound Detail

CHEMBL313902

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O=C(NC1CCCC1OC(=O)c1cc(O)c(-c2nnc(O)c3cccc(O)c23)c(O)c1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313902
Phase Preclinical
Structure Type MOL
InChI Key NMEBHVJGDHILBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
3.33
ALogP
10
HBA
6
HBD
182.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N3O8
MW 517.49
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 0.14

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

Data from ChEMBL 36 via Core Engine