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Compound Detail

CHEMBL4070030

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CSc1cccc2cc(C(=O)NCCc3nccs3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4070030
Phase Preclinical
Structure Type MOL
InChI Key CXOUBSQVKSFXEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.39
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3OS2
MW 329.45
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.06

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