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Compound Detail

CHEMBL1076435

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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1076435
Phase Preclinical
Structure Type MOL
InChI Key SXFQJBRXNODJBV-LOVVWNRFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.5
MW (Da)
3.64
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H31NO
MW 289.46
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 2.51

Literature References

PubMed DOI Target Context # Activities
19845386 10.1021/jm900468p PC-12 1

Data from ChEMBL 36 via Core Engine