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Compound Detail

CHEMBL98921

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O=C(OC1CCCCC1)c1ccccc1NCC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98921
Phase Preclinical
Structure Type MOL
InChI Key JGDIYDHZAMLQDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
2.59
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.82
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 C17H23N3O2
MW 301.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.42

Literature References

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

Data from ChEMBL 36 via Core Engine