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Compound Detail

CHEMBL11436

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Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCc2cccnc2)c1

Basic Information

ChEMBL ID CHEMBL11436
Phase Preclinical
Structure Type MOL
InChI Key KCQWRXMFOBGTFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
5.22
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3
MW 369.51
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL3066
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gonadotropin-releasing hormone receptor IC50 = 200.0 nM 6.7 Inhibition of rat gonadotropin-releasing hormone receptor 11327594

Literature References

PubMed DOI Target Context # Activities
11327594 10.1016/s0960-894x(01)00133-0 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine