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Compound Detail

CHEMBL5583735

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N#CCCS(=O)(=O)C/C(=C\c1cccc(Cl)c1)C(=O)NC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5583735
Phase Preclinical
Structure Type MOL
InChI Key LTXPNHQQRAQZIF-RVDMUPIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.9
MW (Da)
3.11
ALogP
4
HBA
1
HBD
87.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClN2O3S
MW 380.90
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
39269610 10.1021/acs.jmedchem.4c01445 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine