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Compound Detail

CHEMBL5403790

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Nc1ncc(-c2cc(N3CC4CC3C4)nc(N3C[C@@H]4C[C@H]3CO4)c2)nc1OC(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403790
Phase Preclinical
Structure Type MOL
InChI Key PNRYMBQBCUWLCC-FFKWVLBGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
2.30
ALogP
8
HBA
1
HBD
89.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22F2N6O2
MW 416.43
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein delta homolog 1
CHEMBL5671
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein delta homolog 1 IC50 = 4.0 nM 8.4 Inhibition of DLK (unknown origin) 37098296

Literature References

PubMed DOI Target Context # Activities
37098296 10.1016/j.ejmech.2023.115404 Protein delta homolog 1 1

Data from ChEMBL 36 via Core Engine