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Compound Detail

CHEMBL5998450

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Cc1nc(F)ccc1-c1cc(CNC2=NCCN2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5998450
Phase Preclinical
Structure Type MOL
InChI Key RQCCOXNZCYISHV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.4
MW (Da)
4.48
ALogP
5
HBA
3
HBD
78.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22Cl2FN5O
MW 486.38
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.18

Activity Summary

Ki 1 meas. best 10.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
 Ki 10.68 10.68 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
WD repeat-containing protein 5 Ki = 0.021 nM 10.68 FPA Binding Assay: FPA Assay protocol adopted from Karatas et al. (J. Med. Chem.... -

Data from ChEMBL 36 via Core Engine