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Compound Detail

CHEMBL4212196

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COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)C(C)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212196
Phase Preclinical
Structure Type MOL
InChI Key PPASPGGIFAEKJC-KCBVYHKESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

540.8
MW (Da)
8.38
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H56O4
MW 540.83
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 2.87

Literature References

PubMed DOI Target Context # Activities
29326018 10.1016/j.bmcl.2017.12.060 Plasmodium falciparum 1
29326018 10.1016/j.bmcl.2017.12.060 Vero 1
29326018 10.1016/j.bmcl.2017.12.060 HepG2 1

Data from ChEMBL 36 via Core Engine