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Compound Detail

CHEMBL4205783

JNJ-18038683 FREE BASE
🧪 Phase II
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🧪 Phase II
Clc1ccc(-c2nn(Cc3ccccc3)c3c2CCNCC3)cc1

Basic Information

ChEMBL ID CHEMBL4205783
Name JNJ-18038683 FREE BASE
Phase Phase II
Structure Type MOL
InChI Key UKJPMZGILXATGT-UHFFFAOYSA-N
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

337.9
MW (Da)
3.94
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C20H20ClN3
MW 337.85
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.26

Activity Summary

Ki 6 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 8.52 8.52 3.0 1
5-hydroxytryptamine receptor 7
CHEMBL3223
Ki 8.22 7.6367 6.0 3
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 8.19 8.19 6.5 1
5-hydroxytryptamine receptor 2A
CHEMBL224
Ki 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
- 10.6019/CHEMBL4651402 Vero C1008 2
29767995 10.1021/acs.jmedchem.7b01898 5-hydroxytryptamine receptor 7 1
31581003 10.1016/j.ejmech.2019.111705 5-hydroxytryptamine receptor 1A 1
31581003 10.1016/j.ejmech.2019.111705 5-hydroxytryptamine receptor 7 1
33171218 10.1016/j.bmcl.2020.127669 5-hydroxytryptamine receptor 2A 1
33171218 10.1016/j.bmcl.2020.127669 5-hydroxytryptamine receptor 7 1
34311086 10.1016/j.bmcl.2021.128275 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine