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Compound Detail

CHEMBL501636

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Cc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501636
Phase Preclinical
Structure Type MOL
InChI Key XWIAAELWGFVDFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.99
ALogP
6
HBA
4
HBD
90.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O2
MW 322.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
19402633 10.1021/jm9000314 Aurora kinase A 1

Data from ChEMBL 36 via Core Engine