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Compound Detail

CHEMBL2153754

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CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(C(C)(C)C)ccc3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2153754
Phase Preclinical
Structure Type MOL
InChI Key RFCOKHJVCFRICV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
3.73
ALogP
6
HBA
2
HBD
94.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N6O2
MW 494.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
21797275 10.1021/jm200469u Protein kinase C alpha type 1
21797275 10.1021/jm200469u Protein kinase C beta type 1
21797275 10.1021/jm200469u Protein kinase C delta type 1
21797275 10.1021/jm200469u Protein kinase C epsilon type 1
21797275 10.1021/jm200469u Protein kinase C eta type 1
21797275 10.1021/jm200469u Protein kinase C theta type 1

Data from ChEMBL 36 via Core Engine