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Compound Detail

CHEMBL3415510

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CO/N=C(/Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCSSCCNC(=O)/C(Cc1ccc(OCc2ccccc2)cc1)=N\OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415510
Phase Preclinical
Structure Type MOL
InChI Key HZWQVYALXDEWTI-CSMBQKPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

714.9
MW (Da)
6.25
ALogP
10
HBA
2
HBD
119.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H42N4O6S2
MW 714.91
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness -0.17

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