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Compound Detail

CHEMBL2440139

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C[C@@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2440139
Phase Preclinical
Structure Type MOL
InChI Key NUHIVWGZNPMOCV-MZVWGMDXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

418.7
MW (Da)
5.33
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H46O3
MW 418.66
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 2.90

Literature References

PubMed DOI Target Context # Activities
24084159 10.1016/j.bmcl.2013.09.013 Unchecked 1
24084159 10.1016/j.bmcl.2013.09.013 Vero 1
24084159 10.1016/j.bmcl.2013.09.013 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine