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Compound Detail

CHEMBL401052

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CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CCC#N)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401052
Phase Preclinical
Structure Type MOL
InChI Key HQLISKUDDRJCNE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.6
MW (Da)
5.28
ALogP
6
HBA
0
HBD
68.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O
MW 429.57
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17576060 10.1016/j.bmcl.2007.05.102 ADMET 2
17576060 10.1016/j.bmcl.2007.05.102 Respiratory syncytial virus 1

Data from ChEMBL 36 via Core Engine