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Compound Detail

CHEMBL4753391

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COc1c(OCCN2CCN(C)CC2)cc2oc3cc(OCCN4CCN(C)CC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4753391
Phase Preclinical
Structure Type MOL
InChI Key VHNJRGLVGSSPLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

662.9
MW (Da)
4.93
ALogP
10
HBA
1
HBD
91.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H54N4O6
MW 662.87
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
33513389 10.1016/j.bmcl.2021.127820 Phosphoglycerate mutase 1 1

Data from ChEMBL 36 via Core Engine