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Compound Detail

CHEMBL4457705

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CN1CCN(CCc2nnc(-c3cnc4ccc(-c5cncc(NS(=O)(=O)c6ccccc6)c5)cn34)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4457705
Phase Preclinical
Structure Type MOL
InChI Key QVEMUBUWFCVOJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

544.6
MW (Da)
3.04
ALogP
10
HBA
1
HBD
121.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N8O3S
MW 544.64
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
32069401 10.1021/acs.jmedchem.9b01736 PI3-kinase p110-alpha/p85-alpha 1
32069401 10.1021/acs.jmedchem.9b01736 HCT-116 1

Data from ChEMBL 36 via Core Engine