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Compound Detail

CHEMBL4802044

JNJ-73924149
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CC(=O)Nc1nc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)cs1

Basic Information

ChEMBL ID CHEMBL4802044
Name JNJ-73924149
Phase Preclinical
Structure Type MOL
InChI Key VKYYOTCDIVOPRO-MRXNPFEDSA-N
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
3.57
ALogP
5
HBA
1
HBD
58.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N4OS
MW 358.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.79

Activity Summary

Ki 10 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
Ki 7.2 7.2 63.1 2
Sigma intracellular receptor 2
CHEMBL4105907
Ki 5.87 5.86 1349.0 2
Sodium-dependent serotonin transporter
CHEMBL228
Ki 5.59 5.585 2570.4 2
Alpha-2B adrenergic receptor
CHEMBL1942
Ki 5.43 5.43 3672.8 2
Sodium-dependent dopamine transporter
CHEMBL238
Ki 5.28 5.28 5248.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL5303304 HEK-293T 7
- 10.6019/CHEMBL5303304 Fibroblast 7
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
- 10.1158/2159-8290.CD-23-0050 Colon cancer organoid 5
- 10.6019/CHEMBL4800731 Alpha-2B adrenergic receptor 3
- 10.6019/CHEMBL4800731 Sigma intracellular receptor 2 3
- 10.6019/CHEMBL4800731 Sodium-dependent dopamine transporter 3
- 10.6019/CHEMBL4800731 Sodium-dependent serotonin transporter 3
- 10.6019/CHEMBL4800731 Sigma non-opioid intracellular receptor 1 3
- 10.6019/CHEMBL5303304 U2OS 3
- 10.6019/CHEMBL4800731 GABA-A receptor; anion channel 2
- 10.6019/CHEMBL4800731 Protein O-GlcNAcase 2
- 10.6019/CHEMBL4800731 Alpha-1A adrenergic receptor 1
- 10.6019/CHEMBL4800731 Alpha-1D adrenergic receptor 1
- 10.6019/CHEMBL4800731 Beta-1 adrenergic receptor 1
- 10.6019/CHEMBL4800731 Beta-2 adrenergic receptor 1
- 10.6019/CHEMBL4800731 Muscarinic acetylcholine receptor M2 1
- 10.6019/CHEMBL4800731 5-hydroxytryptamine receptor 1D 1

Data from ChEMBL 36 via Core Engine