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Compound Detail

CHEMBL117914

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CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117914
Phase Preclinical
Structure Type MOL
InChI Key RQXPJRXQQKFJSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
1.55
ALogP
4
HBA
1
HBD
53.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O2
MW 275.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
11814822 10.1016/s0960-894x(01)00764-8 Alpha-1A adrenergic receptor 2
11814822 10.1016/s0960-894x(01)00764-8 Alpha-1B adrenergic receptor 2
11814822 10.1016/s0960-894x(01)00764-8 Alpha-1D adrenergic receptor 2
12419381 10.1016/s0960-894x(02)00753-9 Alpha-1A adrenergic receptor 2
12419381 10.1016/s0960-894x(02)00753-9 Alpha-1B adrenergic receptor 2
12419381 10.1016/s0960-894x(02)00753-9 Alpha-1D adrenergic receptor 2

Data from ChEMBL 36 via Core Engine