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Compound Detail

CHEMBL5028967

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C[n+]1ccc2c(c1)c1cc(F)ccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028967
Phase Preclinical
Structure Type MOL
InChI Key FESXNYAPGUCZIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
5.98
ALogP
3
HBA
0
HBD
29.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21FN3OS+
MW 454.55
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine