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Compound Detail

CHEMBL3263041

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O=C(Nc1ncc(Cc2ccccc2)o1)c1n[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3263041
Phase Preclinical
Structure Type MOL
InChI Key PCPOSQPEYCHKJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
3.39
ALogP
4
HBA
2
HBD
83.8
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 C18H14N4O2
MW 318.34
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
24767842 10.1016/j.bmcl.2014.04.023 Tyrosine-protein kinase ITK/TSK 1

Data from ChEMBL 36 via Core Engine