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Compound Detail

CHEMBL123143

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COc1cc2nc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nc(N)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123143
Phase Preclinical
Structure Type MOL
InChI Key QLBUKZISRKRNBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
3.21
ALogP
7
HBA
1
HBD
93.8
PSA (Ų)
0.64
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 C22H22F3N5O3
MW 461.44
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
11462977 10.1021/jm000995w Alpha-1A adrenergic receptor 1
11462977 10.1021/jm000995w Alpha-1B adrenergic receptor 1
11462977 10.1021/jm000995w Alpha-1D adrenergic receptor 1
15317457 10.1021/jm049752k PC-3 1

Data from ChEMBL 36 via Core Engine