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Compound Detail

CHEMBL175356

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CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1

Basic Information

ChEMBL ID CHEMBL175356
Phase Preclinical
Structure Type MOL
InChI Key QWEVSVIZUBGYOE-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.37
ALogP
3
HBA
3
HBD
82.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O2
MW 402.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 3
CHEMBL2028
Ki 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 3 Ki = 210.0 nM 6.68 Inhibition of human sst3 receptor expressed in CHO cells 11327607

Literature References

PubMed DOI Target Context # Activities
11327607 10.1016/s0960-894x(01)00107-x Somatostatin receptor type 1 1
11327607 10.1016/s0960-894x(01)00107-x Somatostatin receptor type 2 1
11327607 10.1016/s0960-894x(01)00107-x Somatostatin receptor type 3 1
11327607 10.1016/s0960-894x(01)00107-x Somatostatin receptor type 4 1
11327607 10.1016/s0960-894x(01)00107-x Somatostatin receptor type 5 1

Data from ChEMBL 36 via Core Engine