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Compound Detail

CHEMBL314239

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CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL314239
Phase Preclinical
Structure Type BOTH
InChI Key PBVZCMVAAPBADM-LXXNTRSASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

863.0
MW (Da)
1.66
ALogP
9
HBA
10
HBD
291.0
PSA (Ų)
0.05
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 C44H62N8O10
MW 863.03
Aromatic Rings 3
Heavy Atoms 62
NP-Likeness 0.18

Literature References

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

Data from ChEMBL 36 via Core Engine