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Compound Detail

CHEMBL486810

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C[C@]12CC[C@H](OC=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL486810
Phase Preclinical
Structure Type MOL
InChI Key ANZIXHORKDWMAO-XHMVMRONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.44
ALogP
5
HBA
0
HBD
69.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H32O5
MW 412.53
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 3.05

Literature References

PubMed DOI Target Context # Activities
15620253 10.1021/np049950e MH60 2
11575946 10.1021/np0101088 KB 1
11575946 10.1021/np0101088 HL-60 1
11575946 10.1021/np0101088 MH60 1
11575946 10.1021/np0101088 BXPC-3 1
11575946 10.1021/np0101088 MCF7 1
11575946 10.1021/np0101088 SF-268 1
11575946 10.1021/np0101088 NCI-H460 1
11575946 10.1021/np0101088 KM-20L2 1
11575946 10.1021/np0101088 DU-145 1

Data from ChEMBL 36 via Core Engine