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Compound Detail

CHEMBL70387

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COC1=Nc2ccccc2C2=NC(CN3CCN(c4ccc(OC)cc4)CC3)CN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70387
Phase Preclinical
Structure Type MOL
InChI Key AIEABQMJVMJPSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
2.60
ALogP
7
HBA
0
HBD
52.9
PSA (Ų)
0.78
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 C23H27N5O2
MW 405.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.69

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