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Compound Detail

CHEMBL202947

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O=C(NC(=O)c1ccccc1)Nc1ccc(Sc2ncccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202947
Phase Preclinical
Structure Type MOL
InChI Key WZTXSTXGDYBVCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.59
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N4O2S
MW 350.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
16570932 10.1021/jm051261s MCF7 3
16570932 10.1021/jm051261s Tubulin 2
16570932 10.1021/jm051261s ASPC1 1
16570932 10.1021/jm051261s PANC-1 1
16570932 10.1021/jm051261s Panc203 1
16570932 10.1021/jm051261s Panc430 1
16570932 10.1021/jm051261s Panc1005 1
16570932 10.1021/jm051261s MIA PaCa-2 1
16570932 10.1021/jm051261s Hs 766 1
16570932 10.1021/jm051261s CWR22R 1
16570932 10.1021/jm051261s LNCaP 1
16570932 10.1021/jm051261s LAPC4 1

Data from ChEMBL 36 via Core Engine