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Compound Detail

CHEMBL3398375

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COc1ccc(N2CCN(C(=O)c3cc4c5ccccc5n(C)c4c(-c4ccccc4)n3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3398375
Phase Preclinical
Structure Type MOL
InChI Key OYPMDWHNEISPFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
5.36
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N4O2
MW 476.58
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
25682562 10.1016/j.bmcl.2015.01.058 Human immunodeficiency virus 2 1
25682562 10.1016/j.bmcl.2015.01.058 Human immunodeficiency virus 1 1
25682562 10.1016/j.bmcl.2015.01.058 HeLa 1
25682562 10.1016/j.bmcl.2015.01.058 Unchecked 1
26498570 10.1016/j.ejmech.2015.10.024 Unchecked 1
26498570 10.1016/j.ejmech.2015.10.024 Vero 1
26498570 10.1016/j.ejmech.2015.10.024 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine