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Compound Detail

CHEMBL272666

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CCCCNc1nc2ccc(CNc3cc(C)cc(C)c3)cc2n1Cc1nc(C)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272666
Phase Preclinical
Structure Type MOL
InChI Key BCWQSHDDNDBQOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
5.93
ALogP
6
HBA
3
HBD
75.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O
MW 443.60
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.06

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Rattus norvegicus

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