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Compound Detail

CHEMBL11605

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NC(CCCCCSc1cc(Cl)ccc1O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11605
Phase Preclinical
Structure Type MOL
InChI Key JYEUEPHEBDMOAO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.8
MW (Da)
3.11
ALogP
4
HBA
3
HBD
83.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18ClNO3S
MW 303.81
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.04

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2155321 10.1021/jm00165a030 No relevant target 1
2155321 10.1021/jm00165a030 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine