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Compound Detail

CHEMBL6023836

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CN(CCN(C)Cc1ccc(C#N)cc1)CC(=O)N/N=C/c1c(O)ccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6023836
Phase Preclinical
Structure Type MOL
InChI Key LUYOTZBVLKPKBP-JVWAILMASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
2.93
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O2
MW 429.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.56

Activity Summary

EC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
 EC50 6.01 6.01 980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hypoxia-inducible factor 1-alpha EC50 = 980.0 nM 6.01 Stabilization of HIF-1alpha: The compounds were formulated with DMSO to form 30 ... -

Data from ChEMBL 36 via Core Engine