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Compound Detail

CHEMBL1617249

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CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617249
Phase Preclinical
Structure Type MOL
InChI Key HSZFOQSMGNAIJM-HXLIROMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
6.21
ALogP
3
HBA
2
HBD
79.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H39NO4
MW 465.63
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 1.60

Data from ChEMBL 36 via Core Engine