Compound Detail

CHEMBL1689481

Enter ChEMBL ID:

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

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(C)C)CSSC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1689481
Phase	Preclinical
Structure Type	MOL
InChI Key	LBBUBAQMBVLGGF-SZPIYGEDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2521.9

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C116H161N29O31S2
MW	2521.87

Activity Summary

IC50 1 meas. best 9.0

Kd 1 meas. best 9.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Placenta growth factor CHEMBL1697671	Kd	9.52	9.52	0.3	1
Placenta growth factor CHEMBL1697671	IC50	9.0	9.0	1.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	14.0	hr	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Placenta growth factor	Kd	=	0.3	nM	9.52	Binding affinity to human PlGF-1	21280651
Placenta growth factor	IC50	=	1.0	nM	9.0	Inhibition of human PlGF-1-VEGFR-1 interaction by ELISA	21280651

Literature References

PubMed	DOI	Target Context	# Activities
21280651	10.1021/jm101226k	Placenta growth factor	2
21280651	10.1021/jm101226k	Mus musculus	1
21280651	10.1021/jm101226k	Serum	1

Data from ChEMBL 36 via Core Engine