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Compound Detail

CHEMBL3823560

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CCc1nnc(-c2cccc(NC(=O)c3n[nH]c4ccccc34)c2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3823560
Phase Preclinical
Structure Type MOL
InChI Key BKMZQPAQCKPVJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.43
ALogP
5
HBA
2
HBD
96.7
PSA (Ų)
0.60
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 C18H15N5O2
MW 333.35
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.22

Literature References

PubMed DOI Target Context # Activities
27311891 10.1016/j.bmcl.2016.06.013 Casein kinase II subunit alpha 1

Data from ChEMBL 36 via Core Engine