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Compound Detail

CHEMBL5028678

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C[n+]1ccc2c(c1)c1ccccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028678
Phase Preclinical
Structure Type MOL
InChI Key JRNPBNOKBHQPQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
5.84
ALogP
3
HBA
0
HBD
29.1
PSA (Ų)
0.33
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 C27H22N3OS+
MW 436.56
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine