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Compound Detail

CHEMBL4242567

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Fc1ccc(Nc2nc(NCC3CC3)c3ccccc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL4242567
Phase Preclinical
Structure Type MOL
InChI Key PNKRAJSOASQNCQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.8
MW (Da)
4.99
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClFN4
MW 342.81
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.95

Activity Summary

EC50 1 meas. best 4.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Son of sevenless homolog 1
CHEMBL2079846
EC50 4.79 4.79 16300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30258545 10.1021/acsmedchemlett.8b00296 Son of sevenless homolog 1 2

Data from ChEMBL 36 via Core Engine