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Compound Detail

CHEMBL4877848

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CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL4877848
Phase Preclinical
Structure Type MOL
InChI Key KONMTNBZGWDKRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.9
MW (Da)
4.57
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.70
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 C21H21ClN4O
MW 380.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 6.17 6.17 670.0 1

Activity Data Samples

Top measurements by pChEMBL value

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