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Compound Detail

CHEMBL436874

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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436874
Phase Preclinical
Structure Type BOTH
InChI Key HLUQDWRHBPWVNT-LVHVEONVSA-N
1
Targets
71
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1201.3
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C55H76N16O15
MW 1201.31

Activity Summary

IC50 71 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL1855
 IC50 9.1 8.0713 0.8 71

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gonadotropin-releasing hormone receptor IC50 = 0.8 nM 9.1 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315A 16420049
Gonadotropin-releasing hormone receptor IC50 = 1.1 nM 8.96 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S118N 16420049
Gonadotropin-releasing hormone receptor IC50 = 1.5 nM 8.82 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315D 16420049
Gonadotropin-releasing hormone receptor IC50 = 1.9 nM 8.72 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189P 16420049
Gonadotropin-releasing hormone receptor IC50 = 1.9 nM 8.72 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295A 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.2 nM 8.66 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR M24I 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.4 nM 8.62 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189A 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.4 nM 8.62 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189K 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.4 nM 8.62 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295Q 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.5 nM 8.6 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L112A 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.7 nM 8.57 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L112F 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.8 nM 8.55 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y284F 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.9 nM 8.54 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203E 16420049
Gonadotropin-releasing hormone receptor IC50 = 2.9 nM 8.54 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203Q 16420049
Gonadotropin-releasing hormone receptor IC50 = 3.1 nM 8.51 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S186D 16420049
Gonadotropin-releasing hormone receptor IC50 = 3.1 nM 8.51 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203K 16420049
Gonadotropin-releasing hormone receptor IC50 = 3.1 nM 8.51 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295K 16420049
Gonadotropin-releasing hormone receptor IC50 = 3.1 nM 8.51 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR T51A 16420049
Gonadotropin-releasing hormone receptor IC50 = 3.3 nM 8.48 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S118A 16420049
Gonadotropin-releasing hormone receptor IC50 = 3.3 nM 8.48 Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111Q 16420049

Literature References

PubMed DOI Target Context # Activities
16420049 10.1021/jm0506928 Gonadotropin-releasing hormone receptor 77

Data from ChEMBL 36 via Core Engine