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Compound Detail

CHEMBL5092630

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O=C(NCCN1CCS(=O)(=O)CC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5092630
Phase Preclinical
Structure Type MOL
InChI Key KJRMJRKIIXIQES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
1.46
ALogP
7
HBA
1
HBD
100.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O4S
MW 450.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
35450366 10.1021/acsmedchemlett.1c00660 DNA-directed RNA polymerase I subunit RPA1 1

Data from ChEMBL 36 via Core Engine