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Compound Detail

CHEMBL482157

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Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)Cn3cc(C#N)c(N)n3)C[C@@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482157
Phase Preclinical
Structure Type MOL
InChI Key DSVJRWKOIONLDX-ORDNVLEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
2.88
ALogP
7
HBA
1
HBD
107.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O3
MW 366.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.49

Activity Summary

EC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.08 5.08 8300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 8300.0 nM 5.08 Cell protective activity in human MC65 cells assessed as protection against amyl... 19121940

Literature References

PubMed DOI Target Context # Activities
19121940 10.1016/j.bmcl.2008.12.060 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine