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Compound Detail

CHEMBL3288537

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Nc1cc(OCc2ccccc2)nc(SCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288537
Phase Preclinical
Structure Type MOL
InChI Key JSOVQNMMVJUMMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.93
ALogP
5
HBA
1
HBD
61.0
PSA (Ų)
0.55
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 C18H17N3OS
MW 323.42
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
24950489 10.1016/j.ejmech.2014.05.071 HT-29 2
24950489 10.1016/j.ejmech.2014.05.071 LoVo 1
24950489 10.1016/j.ejmech.2014.05.071 HepG2 1
24950489 10.1016/j.ejmech.2014.05.071 A549 1

Data from ChEMBL 36 via Core Engine