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Compound Detail

CHEMBL5799088

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CNC(=O)/C(=C/c1cccc(C)n1)c1ccc2ncc(C(N)=O)n2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5799088
Phase Preclinical
Structure Type MOL
InChI Key KHIQBSOKDUIBNK-RIYZIHGNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
1.42
ALogP
5
HBA
2
HBD
102.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O2
MW 335.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
 IC50 6.68 6.68 207.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 207.0 nM 6.68 Enzyme Activity Inhibition: 1. Preparation of a 1× kinase buffer: 40 mM Tris (pH... -

Data from ChEMBL 36 via Core Engine