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Compound Detail

CHEMBL462752

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O=C(O)CNC1C2C(=O)C=C3SC4CC31C1=C(N4)C(=O)c3[nH]cc4c3C1=[N+]2CC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462752
Phase Preclinical
Structure Type MOL
InChI Key KDXKDQMZKHHIJA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
-0.23
ALogP
6
HBA
4
HBD
114.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H17N4O4S+
MW 409.45
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 2.98

Data from ChEMBL 36 via Core Engine