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

CHEMBL3578236

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
COc1ccc(Nc2n[nH]c3c2Cc2cc(OC)ccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3578236
Phase Preclinical
Structure Type MOL
InChI Key YOIACAGYEQVIII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.74
ALogP
4
HBA
2
HBD
59.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O2
MW 307.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
25938266 10.1021/acs.jmedchem.5b00035 HCT-116 1
25938266 10.1021/acs.jmedchem.5b00035 PC-3 1
25938266 10.1021/acs.jmedchem.5b00035 HeLa 1
25938266 10.1021/acs.jmedchem.5b00035 HEK293 1

Data from ChEMBL 36 via Core Engine