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Compound Detail

CHEMBL228729

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Cc1c(OCc2cccnc2)ccc2c(N3CCC(N)CC3)cc(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228729
Phase Preclinical
Structure Type MOL
InChI Key URMPAQXWPITJIZ-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.00
ALogP
6
HBA
1
HBD
81.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O3
MW 365.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.74

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
17500510 10.1021/jm0611511 Plasma 3

Data from ChEMBL 36 via Core Engine