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Compound Detail

CHEMBL447721

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CCCCCCCCCCCCCC1=C(O)/C(=C2\C(=O)Oc3c2cc(O)c(O)c3CCCCCCCCCCCCC)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL447721
Phase Preclinical
Structure Type MOL
InChI Key CUKDXKLGQVRPBL-WIKZRCHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

626.9
MW (Da)
10.65
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.03
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C38H58O7
MW 626.88
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
17125236 10.1021/np060284m A549 1
17125236 10.1021/np060284m A2780 1
17125236 10.1021/np060284m Bel-7402 1
17125236 10.1021/np060284m BGC-823 1
17125236 10.1021/np060284m HCT-8 1
17125236 10.1021/np060284m Tyrosine-protein phosphatase non-receptor type 1 1
17125236 10.1021/np060284m Prothrombin 1

Data from ChEMBL 36 via Core Engine