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Compound Detail

CHEMBL100690

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CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC1C[C@@H](O)CC(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100690
Phase Preclinical
Structure Type MOL
InChI Key FTDIKPNJJUJGEA-VQCQRNETSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
6.35
ALogP
5
HBA
1
HBD
55.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26F2O4S
MW 484.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
1656041 10.1021/jm00114a004 Canis familiaris 2
1656041 10.1021/jm00114a004 Sus scrofa 2
1656041 10.1021/jm00114a004 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine