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Compound Detail

CHEMBL516335

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O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C[C@@]34C[C@@H](N2)SC4=CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516335
Phase Preclinical
Structure Type MOL
InChI Key QYJUINXANIOBKV-XYVASLDOSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
1.11
ALogP
4
HBA
2
HBD
65.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H14N3O2S+
MW 336.40
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 3.27

Data from ChEMBL 36 via Core Engine