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Compound Detail

CHEMBL3398378

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Cn1c2ccccc2c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)nc(-c3ccccc3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3398378
Phase Preclinical
Structure Type MOL
InChI Key MKVMWQMURRLBDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

481.0
MW (Da)
6.01
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25ClN4O
MW 481.00
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.09

Literature References

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

Data from ChEMBL 36 via Core Engine