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Compound Detail

CHEMBL4460152

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CCN(Cc1ccncc1)C(=O)Cn1c2ccccc2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460152
Phase Preclinical
Structure Type MOL
InChI Key LCFCFGOQUREVSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.24
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O
MW 343.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
31419132 10.1021/acs.jmedchem.9b00980 Translocator protein 2

Data from ChEMBL 36 via Core Engine