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Compound Detail

CHEMBL4066648

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C[C@@H]1CN(c2nc(N3CCOCC3)c3sc(-c4ccccc4)cc3n2)C[C@H](C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066648
Phase Preclinical
Structure Type MOL
InChI Key TUEDDGAJARRXKM-IYBDPMFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.81
ALogP
7
HBA
0
HBD
50.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4O2S
MW 410.54
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
28409639 10.1021/acs.jmedchem.7b00357 PI3-kinase p110-alpha/p85-alpha 1
28409639 10.1021/acs.jmedchem.7b00357 Serine/threonine-protein kinase mTOR 1

Data from ChEMBL 36 via Core Engine