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Compound Detail

CHEMBL342883

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CCC1(CC=C(C)C)Oc2cccnc2-n2cccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342883
Phase Preclinical
Structure Type MOL
InChI Key ZZOCJQCESOYSET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.95
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O2
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
10543890 10.1021/jm990150o Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine