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Compound Detail

CHEMBL4079842

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O=C(NCc1cccs1)c1ccc2cccc(SSc3cccc4ccc(C(=O)NCc5cccs5)nc34)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079842
Phase Preclinical
Structure Type MOL
InChI Key XURPGAIREHZURV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

598.8
MW (Da)
7.57
ALogP
8
HBA
2
HBD
84.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H22N4O2S4
MW 598.80
Aromatic Rings 6
Heavy Atoms 40
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
28191850 10.1021/acs.jmedchem.6b01379 26S proteasome non-ATPase regulatory subunit 14 1

Data from ChEMBL 36 via Core Engine