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Compound Detail

CHEMBL171151

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CC(CCC(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](OCCNC(=O)CCC(C)C5CC[C@H]6[C@@H]7CC[C@@H]8C[C@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171151
Phase Preclinical
Structure Type MOL
InChI Key TURUOTNXVGQMER-GKQDVZCNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

810.2
MW (Da)
9.03
ALogP
6
HBA
5
HBD
136.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H83NO7
MW 810.21
Aromatic Rings 0
Heavy Atoms 58
NP-Likeness 1.62

Literature References

PubMed DOI Target Context # Activities
8151614 10.1021/jm00033a001 Oryctolagus cuniculus 3

Data from ChEMBL 36 via Core Engine