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Compound Detail

CHEMBL3314294

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CNC(=O)C1(C)CN(c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)c2c(O)ccc(Cl)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314294
Phase Preclinical
Structure Type MOL
InChI Key DMLMYSSIDHOUOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

526.0
MW (Da)
5.59
ALogP
6
HBA
4
HBD
106.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21ClFN5O3S
MW 525.99
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
24931384 10.1021/jm5006226 P2Y purinoceptor 1 2
24931384 10.1021/jm5006226 Liver microsome 2
24931384 10.1021/jm5006226 Liver 1

Data from ChEMBL 36 via Core Engine