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Compound Detail

CHEMBL5865070

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Cc1nc2c(-c3nnc[nH]3)cc(-c3ccnc(N)c3F)cc2n1-c1ccnc2cccc(F)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5865070
Phase Preclinical
Structure Type MOL
InChI Key PPXMCOMQRSDIDQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
4.59
ALogP
7
HBA
2
HBD
111.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16F2N8
MW 454.44
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 3-kinase regulatory subunit beta
CHEMBL4437
 IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 3-kinase regulatory subunit beta IC50 = 5.0 nM 8.3 TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... -

Data from ChEMBL 36 via Core Engine