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Compound Detail

CHEMBL541302

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Cl.OC(c1c[nH]cn1)(c1cccc2ccccc12)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL541302
Phase Preclinical
Structure Type MOL
InChI Key HWUVWDZWQZNICC-UHFFFAOYSA-N
Parent Compound CHEMBL1190631
Active Moiety CHEMBL1190631
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
3.36
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12ClF3N2O
MW 328.72
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
7914537 10.1021/jm00041a011 Alpha-2A adrenergic receptor 1
7914537 10.1021/jm00041a011 Adrenergic receptor alpha-1 1
7914537 10.1021/jm00041a011 Adrenergic receptor alpha-2 1
7914537 10.1021/jm00041a011 Unchecked 1

Data from ChEMBL 36 via Core Engine