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Compound Detail

CHEMBL4453515

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O=C(CC1CCCO1)N1CCN(c2cncc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453515
Phase Preclinical
Structure Type MOL
InChI Key DUTUOXKBDARLOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.45
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O2
MW 325.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
32071678 10.1021/acsmedchemlett.9b00480 Unchecked 1
32071678 10.1021/acsmedchemlett.9b00480 ADMET 1

Data from ChEMBL 36 via Core Engine