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Compound Detail

CHEMBL5408659

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COCc1cn(CCOCCOc2ccc3nc(N)ccc3c2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408659
Phase Preclinical
Structure Type MOL
InChI Key FZCIUESKSHSVHX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
1.65
ALogP
8
HBA
1
HBD
97.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O3
MW 343.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.46

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
37857466 10.1021/acs.jmedchem.3c01548 Unchecked 4
37857466 10.1021/acs.jmedchem.3c01548 HL-60 3
37857466 10.1021/acs.jmedchem.3c01548 Cytochrome b-245 heavy chain 2
37857466 10.1021/acs.jmedchem.3c01548 Neutrophil cytosol factor 1 1
37857466 10.1021/acs.jmedchem.3c01548 NADPH oxidase 5 1

Data from ChEMBL 36 via Core Engine