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Compound Detail

CHEMBL4278775

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CN/C(=N\c1ccc(F)cc1)SC1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4278775
Phase Preclinical
Structure Type MOL
InChI Key ZBKYBZIQQUOCHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
2.80
ALogP
5
HBA
2
HBD
99.1
PSA (Ų)
0.46
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 C19H16FN3O4S
MW 401.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 1
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine