Compound Detail

CHEMBL3647691

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3647691
Phase	Preclinical
Structure Type	MOL
InChI Key	HAWXIKWHZCZBIT-TZDZZSAGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1620.0

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C86H110N18O12S
MW	1620.01

Activity Summary

Ki 4 meas. best 10.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Somatostatin receptor type 2 CHEMBL1804	Ki	10.7	10.7	0.0	1
Somatostatin receptor type 5 CHEMBL1792	Ki	10.1	10.1	0.1	1
Somatostatin receptor type 1 CHEMBL1917	Ki	7.19	7.19	64.4	1
D(2) dopamine receptor CHEMBL217	Ki	6.83	6.83	149.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Somatostatin receptor type 2	Ki	=	0.02	nM	10.7	Radioligand Binding Assay: Membranes for in vitro receptor binding assays were o...	-
Somatostatin receptor type 5	Ki	=	0.08	nM	10.1	Radioligand Binding Assay: Membranes for in vitro receptor binding assays were o...	-
Somatostatin receptor type 1	Ki	=	64.4	nM	7.19	Radioligand Binding Assay: Membranes for in vitro receptor binding assays were o...	-
D(2) dopamine receptor	Ki	=	149.3	nM	6.83	Radioligand Binding Assay: The affinity of a test compound for the human dopamin...	-

Data from ChEMBL 36 via Core Engine