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Compound Detail

CHEMBL327590

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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](N)Cc1c(C)c(C)c(C)c(C)c1C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

Basic Information

ChEMBL ID CHEMBL327590
Phase Preclinical
Structure Type BOTH
InChI Key LATVCTHHUFKLSE-ZOEARCMYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

876.1
MW (Da)
3.94
ALogP
8
HBA
9
HBD
261.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H69N7O9
MW 876.11
Aromatic Rings 3
Heavy Atoms 63
NP-Likeness 0.15

Literature References

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

Data from ChEMBL 36 via Core Engine