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Compound Detail

CHEMBL522792

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O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522792
Phase Preclinical
Structure Type MOL
InChI Key RTBWPTBJKSHEBQ-INIZCTEOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
3.33
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.90
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 C18H26N2O2S
MW 334.49
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.85

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