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Compound Detail

CHEMBL267920

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CO/N=C(\Cl)CCC/C=C(\c1cc(C)c(OC)c(C(=O)NOC)c1)c1cc(C)c2oc(=O)n(C)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267920
Phase Preclinical
Structure Type MOL
InChI Key LOQSXJDLNYZJTB-MCPDHPEYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

516.0
MW (Da)
4.85
ALogP
8
HBA
1
HBD
104.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30ClN3O6
MW 515.99
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.27

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
17579385 10.1021/jm070236e Human immunodeficiency virus 1 2
17579385 10.1021/jm070236e Human immunodeficiency virus type 1 reverse transcriptase 1
17579385 10.1021/jm070236e Human immunodeficiency virus 2 1
17579385 10.1021/jm070236e CEM-SS 1
17579385 10.1021/jm070236e MT4 1
17579385 10.1021/jm070236e Plasma 1

Data from ChEMBL 36 via Core Engine