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Compound Detail

CHEMBL15583

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CCN(CC)c1ccc2[o+]c3cc(C)c(N)cc3nc2c1.[Cl-]

Basic Information

ChEMBL ID CHEMBL15583
Phase Preclinical
Structure Type MOL
InChI Key PSFJFLPRVPQOKL-UHFFFAOYSA-M
Parent Compound CHEMBL1178209
Active Moiety CHEMBL1178209
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
4.00
ALogP
3
HBA
1
HBD
53.5
PSA (Ų)
0.45
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 C17H20ClN3O
MW 317.82
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Internal ribosome entry site (IRES)
CHEMBL612412
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10866369 10.1016/s0960-894x(00)00217-1 Huh-7 2
10866369 10.1016/s0960-894x(00)00217-1 NON-PROTEIN TARGET 1
15633995 10.1021/jm0400101 Internal ribosome entry site (IRES) 1

Data from ChEMBL 36 via Core Engine