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Compound Detail

CHEMBL5425286

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Nc1ccc2cc(OCCOCCOCCn3cc(COc4ccc5nc(N)ccc5c4)nn3)ccc2n1

Basic Information

ChEMBL ID CHEMBL5425286
Phase Preclinical
Structure Type MOL
InChI Key ZXKKNHGSTHYRMW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
3.23
ALogP
11
HBA
2
HBD
145.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N7O4
MW 515.57
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil cytosol factor 1
CHEMBL1613743
Ki 5.66 5.66 2170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37857466 10.1021/acs.jmedchem.3c01548 Neutrophil cytosol factor 1 1

Data from ChEMBL 36 via Core Engine