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Compound Detail

CHEMBL4462288

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CCc1nc(C(N)=O)c(Nc2ccc3c(c2)C(=O)N2CCNCC2CO3)nc1NC1CCOCC1

Basic Information

ChEMBL ID CHEMBL4462288
Phase Preclinical
Structure Type MOL
InChI Key HIYVIQISYHMTOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
1.28
ALogP
9
HBA
4
HBD
143.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N7O4
MW 481.56
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.9 6.9 126.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30685094 10.1016/j.bmcl.2019.01.018 Tyrosine-protein kinase receptor UFO 1
30685094 10.1016/j.bmcl.2019.01.018 TEL/AXL 1

Data from ChEMBL 36 via Core Engine