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Compound Detail

CHEMBL1774405

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CCC(C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@](C)([C@H]4CC[C@@](C)([C@@H](C)[C@H]5COC(=O)C5)C[C@]14C)[C@@H]23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1774405
Phase Preclinical
Structure Type MOL
InChI Key MROCGOLKYILTRS-AYYQWHTISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

562.7
MW (Da)
4.69
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H50O8
MW 562.74
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 3.05

Literature References

PubMed DOI Target Context # Activities
21381696 10.1021/np100783k NON-PROTEIN TARGET 2
21381696 10.1021/np100783k HL-60 1
21381696 10.1021/np100783k A549 1
21381696 10.1021/np100783k SK-BR-3 1

Data from ChEMBL 36 via Core Engine