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Compound Detail

CHEMBL398560

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Nc1nccc(-c2cc3c(n2C2CCCCC2)CCNC3=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398560
Phase Preclinical
Structure Type MOL
InChI Key BCUXQTFYEXTTMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.32
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O
MW 311.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
18201066 10.1021/jm700956r Cell division cycle 7-related protein kinase 1

Data from ChEMBL 36 via Core Engine