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Compound Detail

CHEMBL5948241

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Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C(N)=O)n3c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5948241
Phase Preclinical
Structure Type MOL
InChI Key IOBFMXJIIPYPJC-NTUHNPAUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
1.16
ALogP
5
HBA
2
HBD
116.4
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 C17H15N5O2
MW 321.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
 IC50 6.48 6.48 328.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 328.0 nM 6.48 Enzyme Activity Inhibition: 1. Preparation of a 1× kinase buffer: 40 mM Tris (pH... -

Data from ChEMBL 36 via Core Engine