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Compound Detail

CHEMBL2011231

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N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)NC1CCN(CCF)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011231
Phase Preclinical
Structure Type MOL
InChI Key NWOUZADJOIRGNA-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
0.62
ALogP
6
HBA
4
HBD
109.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30FN5O3
MW 407.49
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
24900360 10.1021/ml1002458 Beta-1 adrenergic receptor 1
24900360 10.1021/ml1002458 Unchecked 1

Data from ChEMBL 36 via Core Engine