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Compound Detail

CHEMBL482311

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C=C(Cn1cnc(N)c2ncnc1-2)[C@H]1CCC2=Cc3c(cc(C)oc3=O)O[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482311
Phase Preclinical
Structure Type MOL
InChI Key AQSDOPPDBYZNSN-BBRMVZONSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
2.82
ALogP
8
HBA
1
HBD
109.1
PSA (Ų)
0.68
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 C21H21N5O3
MW 391.43
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.81

Activity Summary

EC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.71 5.71 1950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 1950.0 nM 5.71 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