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Compound Detail

CHEMBL5270559

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C[C@H]1[C@@H](NC(=O)CCCCCCCC(=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 CHEMBL5270559
Phase Preclinical
Structure Type MOL
InChI Key ZMCZGQGTXKCWFV-XZQZFJHNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
3.55
ALogP
7
HBA
3
HBD
115.3
PSA (Ų)
0.21
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H40N2O7
MW 468.59
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 1.99

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