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Compound Detail

CHEMBL5193925

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COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN(C)C

Basic Information

ChEMBL ID CHEMBL5193925
Phase Preclinical
Structure Type MOL
InChI Key OUQYMPVCXDWPGK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

590.7
MW (Da)
6.04
ALogP
9
HBA
2
HBD
102.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H39FN6O4
MW 590.70
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.28

Activity Summary

IC50 2 meas. best 8.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 8.49 8.49 3.2 1
BaF3
CHEMBL614524
IC50 7.94 7.94 11.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36358010 10.1021/acs.jmedchem.2c01346 Tyrosine-protein kinase receptor UFO 1
36358010 10.1021/acs.jmedchem.2c01346 BaF3 1

Data from ChEMBL 36 via Core Engine