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Compound Detail

CHEMBL4062102

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C[C@@H]1CN(c2nc(N3CCOCC3)c3sc(-c4ccsc4)cc3n2)C[C@H](C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4062102
Phase Preclinical
Structure Type MOL
InChI Key SROFAXBYXRBTFV-OKILXGFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
3.87
ALogP
8
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 C20H24N4O2S2
MW 416.57
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.06

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