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Compound Detail

CHEMBL306702

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C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSC[C@H](C(=O)O)NC1=O

Basic Information

ChEMBL ID CHEMBL306702
Phase Preclinical
Structure Type BOTH
InChI Key UVIRGNNFCYBSOY-AVTGEJSLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

752.9
MW (Da)
-0.95
ALogP
10
HBA
10
HBD
270.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H48N8O8S
MW 752.90
Aromatic Rings 3
Heavy Atoms 53
NP-Likeness 0.80

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 5
CHEMBL4318
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9216843 10.1021/jm960850i Somatostatin receptor type 2 1
9216843 10.1021/jm960850i Somatostatin receptor type 3 1
9216843 10.1021/jm960850i Somatostatin receptor type 4 1
9216843 10.1021/jm960850i Somatostatin receptor type 5 1
9216843 10.1021/jm960850i Rattus norvegicus 1
9216843 10.1021/jm960850i Unchecked 1

Data from ChEMBL 36 via Core Engine