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Compound Detail

CHEMBL1802375

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N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Basic Information

ChEMBL ID CHEMBL1802375
Phase Preclinical
Structure Type MOL
InChI Key LSRUOTXCAFYCOJ-LQWITFIISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

920.0
MW (Da)
-1.57
ALogP
10
HBA
12
HBD
328.9
PSA (Ų)
0.02
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H57N11O9
MW 920.04
Aromatic Rings 4
Heavy Atoms 67
NP-Likeness -0.16

Activity Summary

EC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Pyroglutamylated RF-amide peptide receptor
CHEMBL5852
EC50 6.14 6.14 722.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21623631 10.1021/jm200418c Pyroglutamylated RF-amide peptide receptor 1

Data from ChEMBL 36 via Core Engine