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Compound Detail

CHEMBL330479

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CC(C)=CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330479
Phase Preclinical
Structure Type MOL
InChI Key IJGLPJRKFZJNCY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
5.30
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.60
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 C23H21NO2
MW 343.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8709096 10.1021/jm950702c Human immunodeficiency virus type 1 reverse transcriptase 1
8709096 10.1021/jm950702c CEM-SS 1

Data from ChEMBL 36 via Core Engine