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Compound Detail

CHEMBL3605650

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CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(OCF)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3605650
Phase Preclinical
Structure Type MOL
InChI Key LCURQWUVFZSEGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
5.77
ALogP
4
HBA
2
HBD
74.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28FN3O3S
MW 493.60
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
26190463 10.1016/j.bmc.2015.06.039 Unchecked 3

Data from ChEMBL 36 via Core Engine