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Compound Detail

CHEMBL2370263

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CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccn1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

Basic Information

ChEMBL ID CHEMBL2370263
Phase Preclinical
Structure Type BOTH
InChI Key ZINBTORDVWUNNL-XJDRWJJRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

982.5
MW (Da)
0.81
ALogP
10
HBA
9
HBD
306.0
PSA (Ų)
0.05
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 C49H60ClN11O9
MW 982.54
Aromatic Rings 4
Heavy Atoms 70
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL3066
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10956191 10.1021/jm990433g Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine