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Compound Detail

CHEMBL5926568

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COc1ccccc1Nc1ncc(-c2ccc(OC)c(OC)c2)c(NC2CCNCC2)n1

Basic Information

ChEMBL ID CHEMBL5926568
Phase Preclinical
Structure Type MOL
InChI Key YJNXHPVNWADIFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
4.08
ALogP
8
HBA
3
HBD
89.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O3
MW 435.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase Mer IC50 = 15.0 nM 7.82 Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... -

Data from ChEMBL 36 via Core Engine