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Compound Detail

CHEMBL1197513

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C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197513
Phase Preclinical
Structure Type MOL
InChI Key ZCLCRBMIHQMBMN-KWPVGEKTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
0.89
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.55
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 C17H20NO4+
MW 302.35
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.05

Data from ChEMBL 36 via Core Engine