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Compound Detail

CHEMBL162529

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Cc1cc2c(c3oc(=O)cc(C(C)C)c13)[C@@H](OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162529
Phase Preclinical
Structure Type MOL
InChI Key QBMZXEAHPGFWHJ-DLTLBTIQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

678.8
MW (Da)
6.14
ALogP
11
HBA
0
HBD
144.6
PSA (Ų)
0.20
QED
3
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H46O11
MW 678.78
Aromatic Rings 2
Heavy Atoms 49
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
11262077 10.1021/jm000070g H9 2

Data from ChEMBL 36 via Core Engine