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Compound Detail

CHEMBL431571

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COc1ccc(N2CCN(CC3CN4C(SC)=Nc5ccccc5C4=N3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431571
Phase Preclinical
Structure Type MOL
InChI Key VFSCNJGFIPRZNN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
3.31
ALogP
7
HBA
0
HBD
43.7
PSA (Ų)
0.76
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 C23H27N5OS
MW 421.57
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
8101878 10.1021/jm00067a017 Rattus norvegicus 2
8101878 10.1021/jm00067a017 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine