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Compound Detail

CHEMBL1179634

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c1ccc2c(c1)C1CC(c3ccsc3)(c3ccsc3)C2c2cccc[n+]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179634
Phase Preclinical
Structure Type MOL
InChI Key HQINWGGQGATOMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
5.52
ALogP
2
HBA
0
HBD
3.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18NS2+
MW 372.54
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine