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Compound Detail

CHEMBL4065559

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C=CC(=O)N1C[C@@H](Nc2ncnc3[nH]ccc23)CC[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4065559
Phase Preclinical
Structure Type MOL
InChI Key CBRJPFGIXUFMTM-MNOVXSKESA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
1.94
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N5O
MW 285.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.84

Pharmacokinetic Data

Parameter Value Units Species
T1/2 6.0 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
28139931 10.1021/acs.jmedchem.6b01694 Tyrosine-protein kinase JAK3 1
28139931 10.1021/acs.jmedchem.6b01694 Unchecked 1

Data from ChEMBL 36 via Core Engine