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Compound Detail

CHEMBL160735

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Clc1ccc(-c2cc(C3CCCCC3)c(-c3ccncc3)[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL160735
Phase Preclinical
Structure Type MOL
InChI Key UUCRTNYYUCNASU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.9
MW (Da)
6.44
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2
MW 336.87
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.64

Activity Summary

IC50 2 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL4773
IC50 7.22 7.22 60.0 1
Glucagon receptor
CHEMBL1985
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10201821 10.1016/s0960-894x(99)00081-5 Glucagon receptor 4
10201821 10.1016/s0960-894x(99)00081-5 Mitogen-activated protein kinase 14 1
10201821 10.1016/s0960-894x(99)00081-5 Unchecked 1

Data from ChEMBL 36 via Core Engine