Compound Detail

CHEMBL3417392

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CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3417392
Phase	Preclinical
Structure Type	BOTH
InChI Key	HRBZSXSITUZGIG-IFLLZMBLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

988.2

MW (Da)

-0.47

ALogP

HBA

HBD

333.6

PSA (Å²)

0.04

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C49H69N11O11
MW	988.16
Aromatic Rings	3
Heavy Atoms	71
NP-Likeness	-0.19

Literature References

PubMed	DOI	Target Context	# Activities
25668242	10.1021/jm501916k	Apelin receptor	2

Data from ChEMBL 36 via Core Engine