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Compound Detail

CHEMBL5171253

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Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(OC4CCN(C)CC4)cc3)ncc2Cl)n[nH]1

Basic Information

ChEMBL ID CHEMBL5171253
Phase Preclinical
Structure Type MOL
InChI Key OSCHGQGAFXOWDX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.0
MW (Da)
5.18
ALogP
8
HBA
3
HBD
103.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN8O
MW 491.00
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36325401 10.1039/d2md00153e Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine