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Compound Detail

CHEMBL4560615

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C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(C2CCCCC2)n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4560615
Phase Preclinical
Structure Type MOL
InChI Key NEZZNDXJKPHXFM-CHWSQXEVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
4.34
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H31N5
MW 329.49
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
32071674 10.1021/acsmedchemlett.9b00509 Unchecked 1

Data from ChEMBL 36 via Core Engine