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Compound Detail

CHEMBL4544488

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C[C@H](CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)COC(=O)CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4544488
Phase Preclinical
Structure Type MOL
InChI Key CBTPVQPYBVUYAJ-WHLIWEHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
6.69
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H38O5
MW 466.62
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.28

Literature References

PubMed DOI Target Context # Activities
26960032 10.1021/acs.jnatprod.5b01128 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine