Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3335422

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Nc1ccc(C#CC2(O)CCCCC2)cc1)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335422
Phase Preclinical
Structure Type MOL
InChI Key FCBHWWXOEQMAMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.7
MW (Da)
4.70
ALogP
5
HBA
2
HBD
68.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36N4O2
MW 508.67
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
25139751 10.1016/j.bmc.2014.07.020 Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 1

Data from ChEMBL 36 via Core Engine