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Compound Detail

CHEMBL141986

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Cc1cccnc1-c1ccccc1OCC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL141986
Phase Preclinical
Structure Type MOL
InChI Key ZWIHQOQCOUAKNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
2.44
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.93
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 C16H17N3O
MW 267.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.57

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

Data from ChEMBL 36 via Core Engine