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Compound Detail

CHEMBL91491

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CCCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91491
Phase Preclinical
Structure Type MOL
InChI Key HQJVMPRRWBGCEV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
4.75
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.70
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 C21H19NO2
MW 317.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.07

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