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

CHEMBL536301

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
Br.C(=N/NC1=NCCN1)\c1ccc(/C=N/NC2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536301
Phase Preclinical
Structure Type MOL
InChI Key WNUQJJRSHNIBNK-HCURTGQUSA-N
Parent Compound CHEMBL1188410
Active Moiety CHEMBL1188410
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
-0.55
ALogP
8
HBA
4
HBD
97.6
PSA (Ų)
0.44
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 C14H19BrN8
MW 379.27
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
17958344 10.1021/jm070679i C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine