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Compound Detail

CHEMBL85513

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CCCCCCCCOC(=O)c1ccc(-n2nc(C=O)c3c2C(Cc2cccc4ccccc24)CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85513
Phase Preclinical
Structure Type MOL
InChI Key HFALKXKKKKVLBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

522.7
MW (Da)
8.02
ALogP
5
HBA
0
HBD
61.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H38N2O3
MW 522.69
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10016-6 Progesterone receptor 1
- 10.1016/S0960-894X(97)10016-6 T47D 1

Data from ChEMBL 36 via Core Engine