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Compound Detail

CHEMBL483591

CYCLOPROPYL CYCLOPAMINE
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C[C@@H]1CN[C@H]2[C@@H](C)[C@@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@]45C[C@]53C)O[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483591
Name CYCLOPROPYL CYCLOPAMINE
Phase Preclinical
Structure Type MOL
InChI Key QMNVCSWLZHZJLT-PZOXALQNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.7
MW (Da)
5.08
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H43NO2
MW 425.66
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.95

Literature References

PubMed DOI Target Context # Activities
18842035 10.1021/jm8008508 No relevant target 1
18842035 10.1021/jm8008508 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine