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Compound Detail

CHEMBL5872892

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NC(=O)c1cccc2c1C(=O)N(CCCN1CCc3ccccc3C1)C2

Basic Information

ChEMBL ID CHEMBL5872892
Phase Preclinical
Structure Type MOL
InChI Key CPZFBGJDYPLHHM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
2.19
ALogP
3
HBA
1
HBD
66.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O2
MW 349.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.84

Activity Summary

Kd 2 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Poly [ADP-ribose] polymerase 2
CHEMBL5366
Kd 5.86 5.86 1390.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine