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Compound Detail

CHEMBL4435518

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COc1ccc2c(c1)CCCN2CCC(=O)N1CCN(c2cccc(Cl)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4435518
Phase Preclinical
Structure Type MOL
InChI Key IBSWJWMUUPNQCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
3.84
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28ClN3O2
MW 413.95
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
31401538 10.1016/j.ejmech.2019.111566 Human immunodeficiency virus type 1 reverse transcriptase 1
31401538 10.1016/j.ejmech.2019.111566 C8166 1
31401538 10.1016/j.ejmech.2019.111566 Unchecked 1

Data from ChEMBL 36 via Core Engine