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Compound Detail

CHEMBL3950960

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CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H](NC(=O)CCC(=O)O)[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3950960
Phase Preclinical
Structure Type MOL
InChI Key QSEBOSITMUOANT-XOFZJWJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

557.8
MW (Da)
6.20
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.38
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H55NO5
MW 557.82
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 2.27

Literature References

PubMed DOI Target Context # Activities
27236068 10.1016/j.ejmech.2016.05.029 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine