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Compound Detail

CHEMBL253980

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Nc1nccc(-c2c[nH]c3c2C(=O)NCC3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL253980
Phase Preclinical
Structure Type MOL
InChI Key FXIGVWLQKAWHES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

229.2
MW (Da)
0.34
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11N5O
MW 229.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.04

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