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Compound Detail

CHEMBL2171471

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Cc1ccnc(C)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171471
Phase Preclinical
Structure Type MOL
InChI Key ZQRRGDSHPOZPIK-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.04
ALogP
5
HBA
1
HBD
92.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O3S
MW 410.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
23043370 10.1021/jm300612z Respiratory syncytial virus 2
23043370 10.1021/jm300612z Unchecked 1
23043370 10.1021/jm300612z HEp-2 1

Data from ChEMBL 36 via Core Engine