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Compound Detail

CHEMBL457257

JATAMANSIN
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C/C=C(/C)C(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457257
Name JATAMANSIN
Phase Preclinical
Structure Type MOL
InChI Key RRHCDWLSHIIIIT-NVWZYQMFSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.38
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H20O5
MW 328.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 2.61

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
12088423 10.1021/np010448t Lemna aequinoctialis 8
12088423 10.1021/np010448t Calmodulin 2
25891102 10.1016/j.bmcl.2015.04.003 Tyrosine-protein phosphatase non-receptor type 1 2
12088423 10.1021/np010448t Amaranthus hypochondriacus 1
12088423 10.1021/np010448t Echinochloa crus-galli 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1

Data from ChEMBL 36 via Core Engine