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Compound Detail

CHEMBL4867215

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O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1

Basic Information

ChEMBL ID CHEMBL4867215
Phase Preclinical
Structure Type MOL
InChI Key CITWIBXKKHFDFM-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

425.9
MW (Da)
3.04
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.68
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 C23H24ClN3O3
MW 425.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.90

Activity Summary

IC50 3 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 7
CHEMBL2157850
IC50 6.71 5.5133 193.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33684824 10.1016/j.ejmech.2021.113291 MGC-803 2
33684824 10.1016/j.ejmech.2021.113291 BGC-823 2
33684824 10.1016/j.ejmech.2021.113291 Ubiquitin carboxyl-terminal hydrolase 7 1
32092586 10.1016/j.ejmech.2020.112107 Ubiquitin carboxyl-terminal hydrolase 7 1
38262120 10.1016/j.ejmech.2024.116161 Ubiquitin carboxyl-terminal hydrolase 7 1

Data from ChEMBL 36 via Core Engine