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Compound Detail

CHEMBL4749594

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O=C(CCCn1nnc2ccccc2c1=O)NCc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749594
Phase Preclinical
Structure Type MOL
InChI Key PRHWXJIGFVIVRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
1.28
ALogP
6
HBA
1
HBD
89.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O2
MW 323.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.27

Literature References

PubMed DOI Target Context # Activities
32977721 10.1021/acs.jmedchem.0c00964 Orexin/Hypocretin receptor type 1 1
32977721 10.1021/acs.jmedchem.0c00964 Unchecked 1

Data from ChEMBL 36 via Core Engine