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Compound Detail

CHEMBL4091004

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O=C(NCCc1nccs1)c1cnc2c(O)cccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091004
Phase Preclinical
Structure Type MOL
InChI Key VJCLLYAOFXZPKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
2.37
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.78
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 -1.46

Literature References

PubMed DOI Target Context # Activities
28191850 10.1021/acs.jmedchem.6b01379 26S proteasome non-ATPase regulatory subunit 14 2
28191850 10.1021/acs.jmedchem.6b01379 COP9 signalosome complex subunit 5 1
28191850 10.1021/acs.jmedchem.6b01379 STAM-binding protein 1

Data from ChEMBL 36 via Core Engine