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Compound Detail

CHEMBL2171483

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Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)n(C(C)(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171483
Phase Preclinical
Structure Type MOL
InChI Key RQALBFRCBNHTDD-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
3.29
ALogP
6
HBA
1
HBD
97.2
PSA (Ų)
0.67
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 C22H27N5O3S
MW 441.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.16

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