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Compound Detail

CHEMBL320910

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O=C(NC1CCCC1)c1ccccc1NCC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320910
Phase Preclinical
Structure Type MOL
InChI Key MASRFDLCKBXBBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
1.77
ALogP
4
HBA
3
HBD
65.5
PSA (Ų)
0.77
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 C16H22N4O
MW 286.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.14

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