Compound Detail

CHEMBL439435

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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCC(=O)O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL439435
Phase	Preclinical
Structure Type	MOL
InChI Key	MAAGLNWCCDGAHA-RRQXNUCCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

982.1

MW (Da)

4.01

ALogP

HBA

HBD

302.3

PSA (Å²)

0.04

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C52H67N7O12
MW	982.15
Aromatic Rings	4
Heavy Atoms	71
NP-Likeness	0.06

Literature References

PubMed	DOI	Target Context	# Activities
7636842	10.1021/jm00015a003	Endothelin-1 receptor	1
7636842	10.1021/jm00015a003	Endothelin receptor type B	1
7636842	10.1021/jm00015a003	Unchecked	1

Data from ChEMBL 36 via Core Engine