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Compound Detail

CHEMBL3350598

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O

Basic Information

ChEMBL ID CHEMBL3350598
Phase Preclinical
Structure Type BOTH
InChI Key CWTJLYNUFMEVHQ-VRZYMZKVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

986.6
MW (Da)
-0.15
ALogP
11
HBA
11
HBD
337.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
28
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H72ClN13O9
MW 986.62
Aromatic Rings 2
Heavy Atoms 69
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
2724307 10.1021/jm00126a037 Angiotensin II receptor 2
2724307 10.1021/jm00126a037 Oryctolagus cuniculus 1
2724307 10.1021/jm00126a037 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine