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Compound Detail

CHEMBL259674

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Cc1cc(C)cc(NCc2ccc3nc(NCC(O)CO)n(Cc4nc(C)ccc4O)c3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259674
Phase Preclinical
Structure Type MOL
InChI Key AOQNHSKADUIXKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
3.49
ALogP
8
HBA
5
HBD
115.5
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O3
MW 461.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.82

Activity Summary

EC50 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 7.5 7.5 31.6 1

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 31.62 nM 7.5 Inhibition of RSV by MTT assay 18254606

Literature References

PubMed DOI Target Context # Activities
18254606 10.1021/jm701284j Respiratory syncytial virus 1
18254606 10.1021/jm701284j NON-PROTEIN TARGET 1
18254606 10.1021/jm701284j Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine