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Compound Detail

CHEMBL73592

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CC(C)(C)NC(=O)Nc1cccnc1

Basic Information

ChEMBL ID CHEMBL73592
Phase Preclinical
Structure Type MOL
InChI Key SSCQNFBOSRPJRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
2.00
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H15N3O
MW 193.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 1995.26 nM 5.7 Concentration required to cause 50% inhibition of spontaneous activity in rat po... 1613756

Literature References

PubMed DOI Target Context # Activities
1613756 10.1021/jm00090a025 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine