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Compound Detail

CHEMBL225048

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CCC1(c2cccc(N=[N+]=[N-])c2)Oc2ccccc2-n2cccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225048
Phase Preclinical
Structure Type MOL
InChI Key QAKDTHVBWJMBHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
5.30
ALogP
4
HBA
0
HBD
80.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O2
MW 344.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
16279773 10.1021/jm050257d Human immunodeficiency virus type 1 reverse transcriptase 5
16279773 10.1021/jm050257d Unchecked 1

Data from ChEMBL 36 via Core Engine