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Compound Detail

CHEMBL4753593

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O=C(Cn1cc(CSc2nc3cc(OC(F)F)ccc3[nH]2)nn1)Nc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4753593
Phase Preclinical
Structure Type MOL
InChI Key JUTZITYMSBWMPM-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

464.9
MW (Da)
4.34
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClF2N6O2S
MW 464.89
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.95

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
34046624 10.1039/d0md00414f PC-3 1
34046624 10.1039/d0md00414f B16-F10 1
34046624 10.1039/d0md00414f CHO-K1 1

Data from ChEMBL 36 via Core Engine