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Compound Detail

CHEMBL373632

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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](Cc2ccc(O)cc2)NC(=O)[C@@H](CCS)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O

Basic Information

ChEMBL ID CHEMBL373632
Phase Preclinical
Structure Type BOTH
InChI Key CLADSXMSTYZQKS-ULEKCXKUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

857.0
MW (Da)
1.00
ALogP
10
HBA
10
HBD
248.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H56N8O8S
MW 857.05
Aromatic Rings 4
Heavy Atoms 61
NP-Likeness 0.88

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor
CHEMBL2096977
IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor IC50 = 0.1 nM 10.0 Displacement of [125I]SRIF-14 from SSTR of rat AR42J cell membranes 17315859

Literature References

PubMed DOI Target Context # Activities
17315859 10.1021/jm061290i Somatostatin receptor 1

Data from ChEMBL 36 via Core Engine