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Compound Detail

CHEMBL4757464

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N#Cc1cc(C(=O)N2CCc3ccccc32)cc(C#N)c1O

Basic Information

ChEMBL ID CHEMBL4757464
Phase Preclinical
Structure Type MOL
InChI Key REVSZQNBTNQVEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
2.34
ALogP
4
HBA
1
HBD
88.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11N3O2
MW 289.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 4.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 4.08 4.08 83900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33062187 10.1021/acsmedchemlett.0c00176 Solute carrier family 22 member 12 2
33062187 10.1021/acsmedchemlett.0c00176 ADMET 1

Data from ChEMBL 36 via Core Engine