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Compound Detail

CHEMBL2023352

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Cc1c[nH]c2nc(Nc3ccc(N4CCN(CCO)CC4)cc3)nc(-c3cccc(CC#N)c3)c12

Basic Information

ChEMBL ID CHEMBL2023352
Phase Preclinical
Structure Type MOL
InChI Key MGCQENKAQXDYRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
3.86
ALogP
7
HBA
3
HBD
104.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N7O
MW 467.58
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor UFO IC50 = 100.0 nM 7.0 Inhibition of AXL kinase 22247788

Literature References

PubMed DOI Target Context # Activities
22247788 10.1021/ml200198x Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine