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Compound Detail

CHEMBL6034055

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CCc1nnc(Nc2ncc(-c3cnn(C)c3)c(NC3CCCCC3)n2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6034055
Phase Preclinical
Structure Type MOL
InChI Key UJYNEPADVSVKPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.78
ALogP
9
HBA
2
HBD
93.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N8S
MW 384.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.19

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
 IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor UFO IC50 = 1100.0 nM 5.96 Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... -

Data from ChEMBL 36 via Core Engine