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Compound Detail

CHEMBL245992

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CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(C(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245992
Phase Preclinical
Structure Type MOL
InChI Key BBVMQUMBGUBCTE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.53
ALogP
6
HBA
1
HBD
82.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O3
MW 420.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.25

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