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Compound Detail

CHEMBL2158178

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COc1ccc(N2CCN(C(=O)Nc3cnc4ccc(Cl)cn4c3=O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158178
Phase Preclinical
Structure Type MOL
InChI Key FVIIGKPCJAJOSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
2.71
ALogP
6
HBA
1
HBD
79.2
PSA (Ų)
0.71
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 C20H20ClN5O3
MW 413.87
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.10

Literature References

PubMed DOI Target Context # Activities
23040894 10.1016/j.bmc.2012.09.008 Unchecked 2

Data from ChEMBL 36 via Core Engine