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Compound Detail

CHEMBL5874702

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Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)NC2CCOCC2)nn1

Basic Information

ChEMBL ID CHEMBL5874702
Phase Preclinical
Structure Type MOL
InChI Key TXIWNLQFRATZFL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.9
MW (Da)
2.98
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClN5O4
MW 429.86
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.85

Activity Summary

Ki 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Integrin alpha-5
CHEMBL3955
Ki 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Integrin alpha-5 Ki = 0.4 nM 9.4 Electrophysiology: Electrophysiological experiments were performed on days 3 to ... -

Data from ChEMBL 36 via Core Engine