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Compound Detail

CHEMBL4516515

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CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCN(C2CCC(CC)C2)CC3)nc1NC1CCOCC1

Basic Information

ChEMBL ID CHEMBL4516515
Phase Preclinical
Structure Type MOL
InChI Key UWVZGNPCAGNKPM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.7
MW (Da)
4.45
ALogP
7
HBA
3
HBD
105.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H42N6O2
MW 506.70
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.53

Activity Summary

IC50 2 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 9.15 9.15 0.7 1
TEL/AXL
CHEMBL4523666
IC50 8.02 8.02 9.6 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