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Compound Detail

CHEMBL3037993

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COC(=O)C(C)(C)CC1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3037993
Phase Preclinical
Structure Type MOL
InChI Key OTMGUSOFKGHDIA-PKDQXDGVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
2.96
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30O7
MW 382.45
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.77

Literature References

PubMed DOI Target Context # Activities
11741486 10.1021/jm0103007 ADMET 2
11741486 10.1021/jm0103007 Plasmodium falciparum 1
11741486 10.1021/jm0103007 BC 1
11741486 10.1021/jm0103007 Vero 1

Data from ChEMBL 36 via Core Engine