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Compound Detail

CHEMBL111366

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CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccc(F)cc3)CC2)[C@@H](c2ccccc2C(F)(F)F)/C1=C(\O)OC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111366
Phase Preclinical
Structure Type MOL
InChI Key OTTAZZYTYCBVQV-IUKMQXEJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

593.6
MW (Da)
6.94
ALogP
6
HBA
1
HBD
74.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31F4N3O4S
MW 593.64
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
1387168 10.1021/jm00095a023 Oryctolagus cuniculus 1
1387168 10.1021/jm00095a023 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine