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Compound Detail

CHEMBL5819677

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Cc1cccc(/C=C\c2ccc3ncc(C(=O)NCCN4CCOCC4)n3c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5819677
Phase Preclinical
Structure Type MOL
InChI Key GAJFSQPEZWQTGL-ALCCZGGFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
2.27
ALogP
6
HBA
1
HBD
71.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5O2
MW 391.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
 IC50 7.36 7.36 44.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 44.0 nM 7.36 Enzyme Activity Inhibition: 1. Preparation of a 1× kinase buffer: 40 mM Tris (pH... -

Data from ChEMBL 36 via Core Engine