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Compound Detail

CHEMBL4250348

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C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2c(NCCN(C)C)cccc12)C1CC1

Basic Information

ChEMBL ID CHEMBL4250348
Phase Preclinical
Structure Type MOL
InChI Key XUJGCBLGYSWGGN-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.0
MW (Da)
5.35
ALogP
6
HBA
3
HBD
65.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28ClFN6
MW 442.97
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.75

Activity Summary

EC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Son of sevenless homolog 1
CHEMBL2079846
EC50 5.11 5.11 7700.0 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