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Compound Detail

CHEMBL6020009

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

Basic Information

ChEMBL ID CHEMBL6020009
Phase Preclinical
Structure Type MOL
InChI Key NQRXSSNTPWBVQG-RIYZIHGNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
1.85
ALogP
6
HBA
1
HBD
99.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O3
MW 336.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 8.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
 IC50 8.13 8.13 7.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 7.4 nM 8.13 Enzyme Activity Inhibition: 1. Preparation of a 1× kinase buffer: 40 mM Tris (pH... -

Data from ChEMBL 36 via Core Engine