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Compound Detail

CHEMBL376534

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CCC1(c2ccccc2)Cc2ccccc2-n2cccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376534
Phase Preclinical
Structure Type MOL
InChI Key PBHVZXGYFPOEMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
4.56
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO
MW 301.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.19

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