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Compound Detail

CHEMBL5409711

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Cc1nc2cccc(NCCNc3ccccc3)c2c(=O)n1C1CCC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5409711
Phase Preclinical
Structure Type MOL
InChI Key HAKLEJCZDFFQJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
2.21
ALogP
7
HBA
3
HBD
105.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O3
MW 405.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.90

Activity Summary

EC50 1 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MM1.S
CHEMBL4296471
 EC50 6.76 6.76 173.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MM1.S EC50 = 173.25 nM 6.76 Antiproliferative activity against human MM1.S cells assessed as reduction in ce... 36577219

Literature References

PubMed DOI Target Context # Activities
36577219 10.1016/j.ejmech.2022.115016 MM1.S 1
36577219 10.1016/j.ejmech.2022.115016 Daudi 1
36577219 10.1016/j.ejmech.2022.115016 HEK-293T 1

Data from ChEMBL 36 via Core Engine