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Compound Detail

CHEMBL329170

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

Basic Information

ChEMBL ID CHEMBL329170
Phase Preclinical
Structure Type BOTH
InChI Key CSHJCRKHBQNUTR-NUFMZFPJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

940.1
MW (Da)
2.99
ALogP
9
HBA
10
HBD
302.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H61N7O12
MW 940.06
Aromatic Rings 4
Heavy Atoms 68
NP-Likeness 0.14

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