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Compound Detail

CHEMBL4128253

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Cc1c(-c2ccnn2C)nnc(N2CCC(Nc3cnc(S(C)(=O)=O)cn3)CC2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128253
Phase Preclinical
Structure Type MOL
InChI Key NPHMQMMMYOUVJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
1.77
ALogP
10
HBA
1
HBD
118.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N8O2S
MW 442.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
29739714 10.1016/j.bmc.2018.04.058 Unchecked 2

Data from ChEMBL 36 via Core Engine