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Compound Detail

CHEMBL5273944

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C[C@H]1[C@@H](NC(=O)CCCCCC(=O)NO)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5273944
Phase Preclinical
Structure Type MOL
InChI Key FDAWKHAFIUMJEL-HWDBZHCTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
2.77
ALogP
7
HBA
3
HBD
115.3
PSA (Ų)
0.24
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H36N2O7
MW 440.54
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.12

Literature References

PubMed DOI Target Context # Activities
32791404 10.1016/j.ejmech.2020.112679 MCF7 1
32791404 10.1016/j.ejmech.2020.112679 HepG2 1
32791404 10.1016/j.ejmech.2020.112679 HL-60 1

Data from ChEMBL 36 via Core Engine