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Compound Detail

CHEMBL2369145

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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](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

Basic Information

ChEMBL ID CHEMBL2369145
Phase Preclinical
Structure Type BOTH
InChI Key NGCFKFBXSAWULW-RQYOYUMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

838.0
MW (Da)
1.30
ALogP
9
HBA
10
HBD
293.7
PSA (Ų)
0.06
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H59N9O10
MW 837.98
Aromatic Rings 3
Heavy Atoms 60
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
8410970 10.1021/jm00070a001 Endothelin receptor 1

Data from ChEMBL 36 via Core Engine