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Compound Detail

CHEMBL403824

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CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403824
Phase Preclinical
Structure Type MOL
InChI Key NEACKVWUVKVBMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.5
MW (Da)
6.59
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22F3N5O2
MW 481.48
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
18445527 10.1016/j.bmcl.2008.04.028 P2Y purinoceptor 1 1

Data from ChEMBL 36 via Core Engine