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Compound Detail

CHEMBL232402

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N#Cc1c(-c2cc(Cl)ccc2Cl)cc(-c2cc(C3CCCC3)ccc2O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232402
Phase Preclinical
Structure Type MOL
InChI Key LDKWIJMNHXVJGA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.3
MW (Da)
6.25
ALogP
3
HBA
2
HBD
76.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18Cl2N2O2
MW 425.32
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.59

Activity Summary

Kd 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Baculoviral IAP repeat-containing protein 5
CHEMBL5989
 Kd 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Baculoviral IAP repeat-containing protein 5 Kd = 510.0 nM 6.29 Binding affinity to human survivin expressed in Escherichia coli BL21 cells afte... 17391963

Literature References

PubMed DOI Target Context # Activities
17391963 10.1016/j.bmcl.2007.03.042 Baculoviral IAP repeat-containing protein 5 1

Data from ChEMBL 36 via Core Engine