Compound Detail

CHEMBL263257

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CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O)C(C)C)C(=O)OCc1ccccn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL263257
Phase	Preclinical
Structure Type	MOL
InChI Key	DALHAGZEAZLVHK-RPJBJRBYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1036.2

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C52H77N9O13
MW	1036.24

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Renin CHEMBL2322	IC50	8.96	8.96	1.1	1

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	2.0	hr	-
T1/2	2.0	hr	-

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Renin	IC50	=	1.1	nM	8.96	Tested in vitro for inhibitory activity against plasma renin in rat models	2197413

Literature References

PubMed	DOI	Target Context	# Activities
2197413	10.1021/jm00170a036	Renin	3
2197413	10.1021/jm00170a036	ADMET	2
2197413	10.1021/jm00170a036	No relevant target	2

Data from ChEMBL 36 via Core Engine