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Compound Detail

CHEMBL510236

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COc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN4CCN(C)CC4)c(NC(=O)CCc4cccnc4)c3)n(C)c2c1

Basic Information

ChEMBL ID CHEMBL510236
Phase Preclinical
Structure Type MOL
InChI Key SBUSODVAHPELIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

599.7
MW (Da)
4.21
ALogP
9
HBA
1
HBD
98.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H41N5O5
MW 599.73
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
19109014 10.1016/j.bmcl.2008.12.034 Human immunodeficiency virus 1 2
19109014 10.1016/j.bmcl.2008.12.034 Unchecked 1
19109014 10.1016/j.bmcl.2008.12.034 CCRF-CEM 1
19109014 10.1016/j.bmcl.2008.12.034 No relevant target 1
19109014 10.1016/j.bmcl.2008.12.034 Jurkat 1

Data from ChEMBL 36 via Core Engine