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Compound Detail

CHEMBL5594550

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COc1ccc(F)cc1CNc1ccc2[nH]nc(C(=O)N3CCC(O)C3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5594550
Phase Preclinical
Structure Type MOL
InChI Key RIMZMRYVQBPOTB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.53
ALogP
5
HBA
3
HBD
90.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN4O3
MW 384.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
39033612 10.1016/j.ejmech.2024.116640 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine