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Compound Detail

CHEMBL3415507

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O=C(NCCSSCCNC(=O)/C(Cc1cccc2ccccc12)=N/O)/C(Cc1cccc2ccccc12)=N\O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415507
Phase Preclinical
Structure Type MOL
InChI Key KUSRYOUWRNMJIJ-DENOHBPFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

574.7
MW (Da)
5.05
ALogP
8
HBA
4
HBD
123.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N4O4S2
MW 574.73
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
25884112 10.1016/j.ejmech.2015.04.001 NON-PROTEIN TARGET 1
25884112 10.1016/j.ejmech.2015.04.001 A549 1

Data from ChEMBL 36 via Core Engine