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Compound Detail

CHEMBL492087

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O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492087
Phase Preclinical
Structure Type MOL
InChI Key MXZLFWSZVDVKTJ-KRWDZBQOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.9
MW (Da)
3.64
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClN2O2S
MW 376.91
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.88

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
19371038 10.1021/jm8011849 Unchecked 2

Data from ChEMBL 36 via Core Engine