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Compound Detail

CHEMBL4855302

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CS(=O)(=O)Nc1cccc(-c2csc3cnc(NCCO)nc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4855302
Phase Preclinical
Structure Type MOL
InChI Key PEXNBPKZTFJQCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
2.13
ALogP
7
HBA
3
HBD
104.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N4O3S2
MW 364.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
34324343 10.1021/acs.jmedchem.1c00459 Focal adhesion kinase 1 1
34324343 10.1021/acs.jmedchem.1c00459 HCT-116 1
34324343 10.1021/acs.jmedchem.1c00459 MDA-MB-231 1
34324343 10.1021/acs.jmedchem.1c00459 Unchecked 1

Data from ChEMBL 36 via Core Engine