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Compound Detail

CHEMBL398897

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O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)NCc2ccco2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398897
Phase Preclinical
Structure Type MOL
InChI Key FJOKEPFTMZTYDS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
5.09
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N3O4
MW 485.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
17884495 10.1016/j.bmcl.2007.09.005 Hypoxia-inducible factor 1-alpha 3

Data from ChEMBL 36 via Core Engine