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

CHEMBL96988

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(NC1CCC1)c1ccccc1NCC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96988
Phase Preclinical
Structure Type MOL
InChI Key KJYJPEXJENXWRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
1.38
ALogP
4
HBA
3
HBD
65.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O
MW 272.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
11597419 10.1016/s0960-894x(01)00569-8 Alpha-1B adrenergic receptor 2
11597419 10.1016/s0960-894x(01)00569-8 Alpha-1A adrenergic receptor 1
11597419 10.1016/s0960-894x(01)00569-8 Alpha-1D adrenergic receptor 1

Data from ChEMBL 36 via Core Engine