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Compound Detail

CHEMBL2367844

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CC1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21

Basic Information

ChEMBL ID CHEMBL2367844
Phase Preclinical
Structure Type MOL
InChI Key VOSXUKXXGOUBDV-DCCUJTHKSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
6.24
ALogP
2
HBA
3
HBD
56.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N4
MW 410.57
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.01

Activity Summary

Ki 2 meas. best 9.05
IC50 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 3
CHEMBL2028
Ki 9.05 9.05 0.9 1
Somatostatin receptor type 3
CHEMBL2028
IC50 8.27 8.27 5.4 1
Somatostatin receptor type 1
CHEMBL1917
Ki 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11520208 10.1021/jm0108449 Somatostatin receptor type 3 2
11520208 10.1021/jm0108449 Somatostatin receptor type 1 1
11520208 10.1021/jm0108449 Somatostatin receptor type 2 1
11520208 10.1021/jm0108449 Somatostatin receptor type 4 1
11520208 10.1021/jm0108449 Somatostatin receptor type 5 1

Data from ChEMBL 36 via Core Engine