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Compound Detail

CHEMBL4068027

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O=C(NCc1ccccc1)c1ccc2cccc(SSc3cccc4ccc(C(=O)NCc5ccccc5)nc34)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4068027
Phase Preclinical
Structure Type MOL
InChI Key BQWVRXIGIODPRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

586.7
MW (Da)
7.44
ALogP
6
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 C34H26N4O2S2
MW 586.74
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness -0.63

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