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Compound Detail

CHEMBL585281

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CN(C)CCCn1cc(C2=C(c3n[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL585281
Phase Preclinical
Structure Type MOL
InChI Key XIYBTJNOANAUDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.04
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5O2
MW 413.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
19827831 10.1021/jm901108b Protein kinase C alpha type 1
19827831 10.1021/jm901108b Protein kinase C beta type 1
19827831 10.1021/jm901108b Protein kinase C delta type 1
19827831 10.1021/jm901108b Protein kinase C epsilon type 1
19827831 10.1021/jm901108b Protein kinase C eta type 1
19827831 10.1021/jm901108b Protein kinase C theta type 1

Data from ChEMBL 36 via Core Engine