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Compound Detail

CHEMBL186563

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Cc1c(-c2cccs2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186563
Phase Preclinical
Structure Type MOL
InChI Key RSRYQTUNBBUCHN-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
4.07
ALogP
6
HBA
1
HBD
70.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F2N3O2S
MW 453.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.27

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL1855
 Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gonadotropin-releasing hormone receptor Ki = 10.0 nM 8.0 Binding affinity towards cloned human Gonadotropin-releasing hormone receptor ex... 15341961

Literature References

PubMed DOI Target Context # Activities
15341961 10.1016/j.bmcl.2004.07.022 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine