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Compound Detail

CHEMBL1973778

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COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1973778
Phase Preclinical
Structure Type MOL
InChI Key YGYUCPKKRGUHKY-CXUHLZMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.46
ALogP
6
HBA
2
HBD
66.7
PSA (Ų)
0.57
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 C15H13N3O2S
MW 299.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
24924425 10.1016/j.bmc.2014.05.034 No relevant target 3
24924425 10.1016/j.bmc.2014.05.034 NON-PROTEIN TARGET 2
25147145 10.1016/j.ejmech.2014.08.039 NON-PROTEIN TARGET 2
25147145 10.1016/j.ejmech.2014.08.039 MDA-MB-435 1
25147145 10.1016/j.ejmech.2014.08.039 ADMET 1

Data from ChEMBL 36 via Core Engine