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Compound Detail

CHEMBL3303274

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CC(C)[C@@H](N)C(=O)Nc1ccc2nc(SCC(=O)c3ccc4ccccc4c3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3303274
Phase Preclinical
Structure Type MOL
InChI Key OHVFOTIFQSPPMK-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
5.35
ALogP
6
HBA
2
HBD
85.1
PSA (Ų)
0.29
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 C24H23N3O2S2
MW 449.60
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.60

Data from ChEMBL 36 via Core Engine