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Compound Detail

CHEMBL4085001

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Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C3(CCc4ccc(F)cc4)COC3)nn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085001
Phase Preclinical
Structure Type MOL
InChI Key MPJKXXXLRDJDCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.34
ALogP
6
HBA
0
HBD
75.6
PSA (Ų)
0.50
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 C26H29FN4O3S
MW 496.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.64

Literature References

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

Data from ChEMBL 36 via Core Engine