Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL367716

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(C)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL367716
Phase Preclinical
Structure Type MOL
InChI Key VFJFHKSDNUMTES-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.94
ALogP
2
HBA
4
HBD
85.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N5O
MW 401.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.93

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 3
CHEMBL2028
 Ki 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 3 Ki = 400.0 nM 6.4 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