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Compound Detail

CHEMBL5985572

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Cc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C(N)=O)n3c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5985572
Phase Preclinical
Structure Type MOL
InChI Key LTOFYZHJJCYYIR-LDADJPATSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
2.69
ALogP
5
HBA
1
HBD
93.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O2
MW 389.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
 IC50 7.24 7.24 58.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 58.0 nM 7.24 Enzyme Activity Inhibition: 1. Preparation of a 1× kinase buffer: 40 mM Tris (pH... -

Data from ChEMBL 36 via Core Engine