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Compound Detail

CHEMBL4217631

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C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4217631
Phase Preclinical
Structure Type MOL
InChI Key QHJRYGLIAUBXLA-SPODLQDHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

540.8
MW (Da)
8.53
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
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 2.73

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