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Compound Detail

CHEMBL3659502

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CC(C)Oc1cc(-n2cnc3cc(Cl)c(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3659502
Phase Preclinical
Structure Type MOL
InChI Key DNRJRDDATFHQGP-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
4.29
ALogP
7
HBA
2
HBD
93.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClFN7O
MW 415.86
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 4.0 nM 8.4 Amplified Luminescent Proximity Assay: To measure JAK2 kinase activity, a commer... -

Data from ChEMBL 36 via Core Engine