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Compound Detail

CHEMBL4080253

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Cc1cc(C)c(Oc2cc(NCCn3ccc(=O)[nH]c3=O)nc(Cl)n2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4080253
Phase Preclinical
Structure Type MOL
InChI Key RJSINMDHZYYZOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
2.81
ALogP
7
HBA
2
HBD
101.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClN5O3
MW 401.85
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
28254696 10.1016/j.ejmech.2017.02.047 Human immunodeficiency virus 1 2
28254696 10.1016/j.ejmech.2017.02.047 Unchecked 1
28254696 10.1016/j.ejmech.2017.02.047 MT4 1
28254696 10.1016/j.ejmech.2017.02.047 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine