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Compound Detail

CHEMBL5196337

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O=C(O)C1(Oc2nc3ncccc3n2-c2ccc(C3CC3)c3ccccc23)CCC1

Basic Information

ChEMBL ID CHEMBL5196337
Phase Preclinical
Structure Type MOL
InChI Key NHOBWBSMNFECBL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
4.84
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O3
MW 399.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.01

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.43 5.43 3670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35084182 10.1021/acs.jmedchem.1c02057 Mus musculus 2
35084182 10.1021/acs.jmedchem.1c02057 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine