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Compound Detail

CHEMBL4760001

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Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760001
Phase Preclinical
Structure Type MOL
InChI Key UHWCCSHGUZLTTA-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
3.16
ALogP
7
HBA
2
HBD
97.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O2
MW 429.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.72

Activity Summary

EC50 6 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 EC50 7.7 7.7 19.9 2
Somatostatin receptor type 2
CHEMBL1804
 EC50 7.44 7.42 36.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 EC50 = 19.95 nM 7.7 Agonist activity at human SST4 receptor expressed in CHO-K1 cells assessed as in... 36655128
Somatostatin receptor type 4 EC50 = 20.0 nM 7.7 Agonist activity at human SST4 receptor expressed in CHO-K1 cells assessed as in... 36655128
Somatostatin receptor type 2 EC50 = 36.0 nM 7.44 Agonist activity at human SST2 expressed in CHOK1 cells assessed as inhibition o... 32805408
Somatostatin receptor type 2 EC50 = 36.0 nM 7.44 Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as in... 36655128
Somatostatin receptor type 2 EC50 = 39.81 nM 7.4 Agonist activity at human SST2 expressed in CHOK1 cells assessed as inhibition o... 32805408
Somatostatin receptor type 2 EC50 = 39.81 nM 7.4 Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as in... 36655128

Literature References

PubMed DOI Target Context # Activities
32805408 10.1016/j.bmcl.2020.127496 Somatostatin receptor type 2 2
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 2 2
36655128 10.1021/acsmedchemlett.2c00431 Somatostatin receptor type 4 2

Data from ChEMBL 36 via Core Engine