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Compound Detail

CHEMBL4078027

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C=C(CCc1ccc(F)cc1)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4078027
Phase Preclinical
Structure Type MOL
InChI Key SNVBZHFACIXGHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
4.08
ALogP
5
HBA
0
HBD
66.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27FN4O2S
MW 466.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
28508636 10.1021/acs.jmedchem.7b00182 dCTP pyrophosphatase 1 2

Data from ChEMBL 36 via Core Engine