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Compound Detail

CHEMBL251335

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CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3ccccc3C[C@H]21

Basic Information

ChEMBL ID CHEMBL251335
Phase Preclinical
Structure Type MOL
InChI Key AGOCNFSXCAGJEC-BHDDXSALSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
2.47
ALogP
4
HBA
0
HBD
39.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N4O
MW 390.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.83

Activity Summary

Kd 2 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 1
CHEMBL4652
Kd 6.8 6.8 158.5 1
Somatostatin receptor type 2
CHEMBL2978
Kd 4.49 4.49 32359.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17507221 10.1016/j.bmcl.2007.04.086 Somatostatin receptor type 1 1
17507221 10.1016/j.bmcl.2007.04.086 Somatostatin receptor type 2 1

Data from ChEMBL 36 via Core Engine