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Compound Detail

CHEMBL305530

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C/C(=C\CC/C(C)=C/COP(=O)(O)OP(=O)(O)O)CC/C=C(\C)CCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL305530
Phase Preclinical
Structure Type MOL
InChI Key MQTYWKZQFYMNDN-WNWLUAIZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
4.95
ALogP
5
HBA
3
HBD
116.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H37NO7P2
MW 453.45
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 1.16

Literature References

PubMed DOI Target Context # Activities
12014956 10.1021/jm010412y Geranylgeranyl pyrophosphate synthase 1

Data from ChEMBL 36 via Core Engine