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Compound Detail

CHEMBL4126238

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

Basic Information

ChEMBL ID CHEMBL4126238
Phase Preclinical
Structure Type MOL
InChI Key BGPCJILAVZTOCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
2.59
ALogP
9
HBA
2
HBD
104.9
PSA (Ų)
0.65
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 C22H30N8O
MW 422.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.29

Literature References

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

Data from ChEMBL 36 via Core Engine