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Compound Detail

CHEMBL5428862

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CN1CCNCC12CCCC2

Basic Information

ChEMBL ID CHEMBL5428862
Phase Preclinical
Structure Type MOL
InChI Key QTTCFJXNEWPIQU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

154.3
MW (Da)
0.83
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18N2
MW 154.26
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.37

Activity Summary

Kd 2 meas. best 3.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Son of sevenless homolog 2
CHEMBL4524041
Kd 3.37 3.37 430000.0 1
Son of sevenless homolog 1
CHEMBL2079846
Kd 3.31 3.31 490000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38156904 10.1021/acs.jmedchem.3c02140 No relevant target 1
38156904 10.1021/acs.jmedchem.3c02140 Son of sevenless homolog 1 1
38156904 10.1021/acs.jmedchem.3c02140 Son of sevenless homolog 2 1

Data from ChEMBL 36 via Core Engine