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Compound Detail

CHEMBL5558728

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Nn1cc(-c2n[nH]c3cc(Cl)c(NC4CCNC4)cc23)cn1

Basic Information

ChEMBL ID CHEMBL5558728
Phase Preclinical
Structure Type MOL
InChI Key QBIDDGKALWIKCC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.8
MW (Da)
1.57
ALogP
6
HBA
4
HBD
96.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16ClN7
MW 317.78
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor UFO IC50 = 19.0 nM 7.72 Inhibition of AXL (unknown origin) 38714043

Literature References

PubMed DOI Target Context # Activities
38714043 10.1016/j.ejmech.2024.116475 Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine