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Compound Detail

CHEMBL272010

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Cc1ccc(O)c(Cn2c(NCCCN3CCOCC3)nc3ccc(CNc4ccccc4CCCO)cc32)n1

Basic Information

ChEMBL ID CHEMBL272010
Phase Preclinical
Structure Type MOL
InChI Key RFXPDFHTFPGLRA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
4.16
ALogP
9
HBA
4
HBD
107.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H40N6O3
MW 544.70
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.14

Activity Summary

EC50 1 meas. best 9.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 9.6 9.6 0.3 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 = 0.2512 nM 9.6 Inhibition of RSV by MTT assay 18254606

Literature References

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

Data from ChEMBL 36 via Core Engine