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Compound Detail

CHEMBL5271251

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CC(Nc1ccn2ncc(C(=O)NC3CCN(C)CC3)c2n1)c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5271251
Phase Preclinical
Structure Type MOL
InChI Key OTZOCPLASJDBNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
2.87
ALogP
6
HBA
2
HBD
74.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25FN6O
MW 396.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.12

Literature References

PubMed DOI Target Context # Activities
33069129 10.1016/j.bmc.2020.115811 High affinity nerve growth factor receptor 2
33069129 10.1016/j.bmc.2020.115811 Unchecked 2

Data from ChEMBL 36 via Core Engine