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Compound Detail

CHEMBL3114040

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Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccc(C)cc3Cl)nc3ccc(Cl)cc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3114040
Phase Preclinical
Structure Type MOL
InChI Key VDVPHSPBZKYEMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

484.4
MW (Da)
7.05
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23Cl2N3OS
MW 484.45
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.25

Literature References

PubMed DOI Target Context # Activities
24457088 10.1016/j.bmc.2013.12.045 Human immunodeficiency virus 1 2
24457088 10.1016/j.bmc.2013.12.045 Human immunodeficiency virus 2 1
24457088 10.1016/j.bmc.2013.12.045 Unchecked 1
24457088 10.1016/j.bmc.2013.12.045 MT4 1
24457088 10.1016/j.bmc.2013.12.045 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine