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Compound Detail

CHEMBL4128005

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NC(=O)/C=C/c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128005
Phase Preclinical
Structure Type MOL
InChI Key BADFKWUWNBHYGP-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.58
ALogP
4
HBA
2
HBD
89.6
PSA (Ų)
0.50
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 C23H23N5O
MW 385.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
29852068 10.1021/acs.jmedchem.8b00571 Tyrosine-protein kinase JAK3 1
29852068 10.1021/acs.jmedchem.8b00571 No relevant target 1

Data from ChEMBL 36 via Core Engine