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Compound Detail

CHEMBL4849791

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CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc(C#N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4849791
Phase Preclinical
Structure Type MOL
InChI Key VHNFKNSUZFGTIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.78
ALogP
4
HBA
2
HBD
84.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O
MW 371.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.01 6.01 980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 980.0 nM 6.01 Inhibition of N-terminal GST-tagged human TRKA (436 to 790 residues) expressed i... 34171657

Literature References

PubMed DOI Target Context # Activities
34171657 10.1016/j.ejmech.2021.113627 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine