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Compound Detail

CHEMBL2420653

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Cn1c(C(=O)NCc2ccc(S(=O)(=O)c3ccccc3)cc2)cc2cnccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2420653
Phase Preclinical
Structure Type MOL
InChI Key JIMJZEFDEAEVQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.34
ALogP
5
HBA
1
HBD
81.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O3S
MW 405.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
23859118 10.1021/jm4008664 Liver 2
23859118 10.1021/jm4008664 A2780 1
23859118 10.1021/jm4008664 Nicotinamide phosphoribosyltransferase 1

Data from ChEMBL 36 via Core Engine