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Compound Detail

CHEMBL4126872

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Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)NC3CCCC3)CC2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4126872
Phase Preclinical
Structure Type MOL
InChI Key YBBURAJODOPYLZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
2.70
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N7O
MW 397.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.47

Literature References

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

Data from ChEMBL 36 via Core Engine