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Compound Detail

CHEMBL4075283

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Cc1cccc(-c2n[nH]c(C3CSc4c(C5CC5)c(Cc5cccc6ccccc56)cc(=O)n43)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075283
Phase Preclinical
Structure Type MOL
InChI Key WANIUJJPGNPWCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
6.26
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26N4OS
MW 490.63
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
29053275 10.1021/acs.jmedchem.7b00716 Chlamydia trachomatis 3
29053275 10.1021/acs.jmedchem.7b00716 HeLa 229 1

Data from ChEMBL 36 via Core Engine