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Compound Detail

CHEMBL4090324

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C[C@@H]1CN(c2nc(N3CCOCC3)c3sc(-c4ccncc4)cc3n2)C[C@H](C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4090324
Phase Preclinical
Structure Type MOL
InChI Key FMVCVOQPDBXRFG-GASCZTMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.20
ALogP
8
HBA
0
HBD
63.6
PSA (Ų)
0.66
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 C21H25N5O2S
MW 411.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.63

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