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Compound Detail

CHEMBL5945407

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COc1cncc(-c2cc(Cn3ccnc3)cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5945407
Phase Preclinical
Structure Type MOL
InChI Key MMXOBKKQVRAKNU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
5.24
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20Cl2N4O2
MW 467.36
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.65

Activity Summary

Ki 1 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
 Ki 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
WD repeat-containing protein 5 Ki = 2.2 nM 8.66 FPA Binding Assay: FPA Assay protocol adopted from Karatas et al. (J. Med. Chem.... -

Data from ChEMBL 36 via Core Engine