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Compound Detail

CHEMBL5986734

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COc1ccc(C(=O)NCc2cc(Cl)ccn2)cc1CNC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5986734
Phase Preclinical
Structure Type MOL
InChI Key GXHLEJDAHIKZBM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.8
MW (Da)
1.72
ALogP
6
HBA
3
HBD
87.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20ClN5O2
MW 373.84
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 8.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
 Ki 8.86 8.86 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
WD repeat-containing protein 5 Ki = 1.39 nM 8.86 FPA Binding Assay: FPA Assay protocol adopted from Karatas et al. (J. Med. Chem.... -

Data from ChEMBL 36 via Core Engine