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Compound Detail

CHEMBL3793676

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Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)C(C(=O)Nc1ccncn1)CS2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793676
Phase Preclinical
Structure Type MOL
InChI Key MTQSNMCBILUCJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
4.13
ALogP
7
HBA
2
HBD
102.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N5O2S
MW 469.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
26849778 10.1021/acs.jmedchem.5b01759 Chlamydia trachomatis 3
26849778 10.1021/acs.jmedchem.5b01759 HeLa 2

Data from ChEMBL 36 via Core Engine