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Compound Detail

CHEMBL387282

FUMARRANOL
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CO[C@]12C(=O)CC[C@@]1(CO)C2[C@@]1(C)O[C@@H]1CC=C(C)C

Basic Information

ChEMBL ID CHEMBL387282
Name FUMARRANOL
Phase Preclinical
Structure Type MOL
InChI Key CANZHCRPLGNWCR-LMINUHAASA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
1.86
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24O4
MW 280.36
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 3.00

Activity Summary

IC50 2 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AEC
CHEMBL613857
IC50 7.47 7.47 34.0 1
Methionine aminopeptidase 2
CHEMBL3922
IC50 5.49 5.49 3230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AEC IC50 = 34.0 nM 7.47 Antiproliferative activity against BAEC 16970390
Methionine aminopeptidase 2 IC50 = 3230.0 nM 5.49 Inhibition of human MetAP2 16970390

Literature References

PubMed DOI Target Context # Activities
16970390 10.1021/jm060559v Mus musculus 2
16970390 10.1021/jm060559v AEC 1
16970390 10.1021/jm060559v Methionine aminopeptidase 2 1

Data from ChEMBL 36 via Core Engine