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Compound Detail

CHEMBL408026

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CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL408026
Phase Preclinical
Structure Type MOL
InChI Key UTFSXQLGSIYOQC-NDDGHMPHSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1243.5
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C67H87FN10O12
MW 1243.49

Activity Summary

Kd 1 meas. best 8.11
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Kd 8.11 8.11 7.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Kd = 7.762 nM 8.11 In vitro antagonistic potency against release of luteinizing hormone (LH) from c... 7510341

Literature References

PubMed DOI Target Context # Activities
7510341 10.1021/jm00031a021 Gonadotropin-releasing hormone receptor 1
7510341 10.1021/jm00031a021 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine