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Compound Detail

CHEMBL5793094

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Cc1c(C(F)F)cccc1[C@@H](C)Nc1nnc(C)c2ccc(N3CCNCC3)cc12

Basic Information

ChEMBL ID CHEMBL5793094
Phase Preclinical
Structure Type MOL
InChI Key ZFAARKKRLSOLKY-OAHLLOKOSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.77
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27F2N5
MW 411.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 7.85
Ki 1 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Son of sevenless homolog 1
CHEMBL2079846
Ki 10.1 10.1 0.1 1
Son of sevenless homolog 1
CHEMBL2079846
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine