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Compound Detail

CHEMBL4475960

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CCc1nc(C(N)=O)c(Nc2ccc3c(c2)C(=O)N2CCN(C(C)C)CC2CO3)nc1NC1CCOCC1

Basic Information

ChEMBL ID CHEMBL4475960
Phase Preclinical
Structure Type MOL
InChI Key HPZJQYDRAYLNHK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
2.40
ALogP
9
HBA
3
HBD
134.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H37N7O4
MW 523.64
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.67 6.67 216.0 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