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

CHEMBL2180248

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
COC(=O)c1nc(Br)c2cccnc2c1N[C@H]1CC[C@H](N)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180248
Phase Preclinical
Structure Type MOL
InChI Key GVNTZXNYOWTPAN-MGCOHNPYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

379.3
MW (Da)
2.86
ALogP
6
HBA
2
HBD
90.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19BrN4O2
MW 379.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
23098137 10.1021/jm300667v HEY 1
23098137 10.1021/jm300667v SK-BR-3 1
23098137 10.1021/jm300667v MCF7 1
23098137 10.1021/jm300667v HCT-116 1
23098137 10.1021/jm300667v MDA-MB-435 1

Data from ChEMBL 36 via Core Engine