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Compound Detail

CHEMBL4100482

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Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(CNCc3ccccc3)nn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4100482
Phase Preclinical
Structure Type MOL
InChI Key GVMUJFXKKPIMRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
2.59
ALogP
6
HBA
1
HBD
78.4
PSA (Ų)
0.61
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 C23H27N5O2S
MW 437.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.04

Literature References

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

Data from ChEMBL 36 via Core Engine