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Compound Detail

CHEMBL243558

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Cc1cc(C)c2nc(NCCNc3ccccc3)n(Cc3nc(C)ccc3O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243558
Phase Preclinical
Structure Type MOL
InChI Key YIQFUMLRNHKCPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.63
ALogP
6
HBA
3
HBD
75.0
PSA (Ų)
0.39
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 C24H27N5O
MW 401.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
17722899 10.1021/jm070143x Respiratory syncytial virus 1
17722899 10.1021/jm070143x ADMET 1

Data from ChEMBL 36 via Core Engine