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Compound Detail

CHEMBL516598

2,3,8,9-TETRAHYDRO-9,10-SECO-TERRITREM B
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COc1cc(CCC2=C(C(=O)O)C[C@]3(O)[C@@]4(C)C(=O)CCC(C)(C)[C@]4(O)CC[C@@]3(C)O2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516598
Name 2,3,8,9-TETRAHYDRO-9,10-SECO-TERRITREM B
Phase Preclinical
Structure Type MOL
InChI Key YJIWHETXULTBMG-VJLHXPKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
3.81
ALogP
8
HBA
3
HBD
131.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40O9
MW 532.63
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
7673929 10.1021/np50120a006 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine