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Compound Detail

CHEMBL28148

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COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC/C=C/CN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28148
Phase Preclinical
Structure Type MOL
InChI Key BMEKKWWFQMYXPU-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.9
MW (Da)
5.21
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClFN4O2
MW 442.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.32

Literature References

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

Data from ChEMBL 36 via Core Engine