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Compound Detail

CHEMBL26456

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COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26456
Phase Preclinical
Structure Type MOL
InChI Key AVQNSHZBOYOSQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.9
MW (Da)
4.55
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClFN4O2
MW 416.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine