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Compound Detail

CHEMBL5755453

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CC1(C)CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cn(c2=O)C1

Basic Information

ChEMBL ID CHEMBL5755453
Phase Preclinical
Structure Type MOL
InChI Key JPFKIYMOMOJXMF-MRXNPFEDSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
2.14
ALogP
7
HBA
1
HBD
84.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23FN6O2
MW 410.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.81

Activity Summary

IC50 3 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 7.26 7.26 55.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine