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Compound Detail

CHEMBL4102948

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Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(CO)(CO)CCc3ccc(F)cc3)nn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102948
Phase Preclinical
Structure Type MOL
InChI Key QNHLQADNAGBWKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
2.29
ALogP
7
HBA
2
HBD
106.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31FN4O4S
MW 514.62
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.62

Literature References

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

Data from ChEMBL 36 via Core Engine