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Compound Detail

CHEMBL222104

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O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)NCCN2CCOCC2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222104
Phase Preclinical
Structure Type MOL
InChI Key JCYNLJZAZXFRHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

533.7
MW (Da)
3.94
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H39N3O5
MW 533.67
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
17328532 10.1021/jm0610292 Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 1
17328532 10.1021/jm0610292 AGS 1

Data from ChEMBL 36 via Core Engine