Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL11149

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(NS(C)(=O)=O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11149
Phase Preclinical
Structure Type MOL
InChI Key RRLFSIAYEBCALH-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

489.7
MW (Da)
5.98
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35N3O2S
MW 489.69
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.65

Activity Summary

IC50 7 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL1855
 IC50 8.15 7.23 7.0 3
Gonadotropin-releasing hormone receptor
CHEMBL3066
 IC50 8.15 7.805 7.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gonadotropin-releasing hormone receptor IC50 = 7.0 nM 8.15 Inhibition of rat gonadotropin-releasing hormone receptor 11327594
Gonadotropin-releasing hormone receptor IC50 = 7.0 nM 8.15 Inhibitory activity against human GnRH receptor using des-Gly10[125I]Tyr5, D-Leu... 11814806
Gonadotropin-releasing hormone receptor IC50 = 7.0 nM 8.15 Inhibition of rat GnRH receptor binding 11327593
Gonadotropin-releasing hormone receptor IC50 = 7.0 nM 8.15 Inhibition of [125I]buserelin binding to rat pituitary Gonadotropin-releasing ho... 11425546
Gonadotropin-releasing hormone receptor IC50 = 170.0 nM 6.77 Inhibitory activity evaluated against human Gonadotropin-releasing hormone recep... 11327594
Gonadotropin-releasing hormone receptor IC50 = 170.0 nM 6.77 Binding affinity against gonadotropin-releasing hormone receptor of rat 11814806
Gonadotropin-releasing hormone receptor IC50 = 170.0 nM 6.77 Inhibition of human Gonadotropin-releasing hormone receptor binding 11327593

Literature References

PubMed DOI Target Context # Activities
11327594 10.1016/s0960-894x(01)00133-0 Gonadotropin-releasing hormone receptor 2
11814806 10.1016/s0960-894x(01)00779-x Gonadotropin-releasing hormone receptor 2
11327593 10.1016/s0960-894x(01)00134-2 Gonadotropin-releasing hormone receptor 2
11425546 10.1016/s0960-894x(01)00274-8 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine