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Compound Detail

CHEMBL1914929

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CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(N)=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O

Basic Information

ChEMBL ID CHEMBL1914929
Phase Preclinical
Structure Type MOL
InChI Key ABKKNMCMHOEQAN-LULZRBEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

555.8
MW (Da)
6.75
ALogP
5
HBA
1
HBD
95.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H53NO5
MW 555.80
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 2.82

Literature References

PubMed DOI Target Context # Activities
22019227 10.1016/j.ejmech.2011.10.011 B16-F10 1
26383128 10.1016/j.ejmech.2015.09.007 Acetylcholinesterase 1
26383128 10.1016/j.ejmech.2015.09.007 Cholinesterase 1

Data from ChEMBL 36 via Core Engine