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Compound Detail

CHEMBL4282767

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COc1cc(/C=N/NC(=S)N2CCOCC2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4282767
Phase Preclinical
Structure Type MOL
InChI Key HBKCPQYDTPZUMR-MHWRWJLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
1.25
ALogP
6
HBA
1
HBD
64.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O4S
MW 339.42
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
30108734 10.1039/C7MD00353F SMMC-7721 1
30108734 10.1039/C7MD00353F MGC-803 1
30108734 10.1039/C7MD00353F MCF7 1

Data from ChEMBL 36 via Core Engine