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Compound Detail

CHEMBL5278773

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CCN1N=C(c2ccc(N(CC)CC)c([N+](=O)[O-])c2)C(C)CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278773
Phase Preclinical
Structure Type MOL
InChI Key NPJYIKSSWGKCSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.03
ALogP
5
HBA
0
HBD
79.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N4O3
MW 332.40
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
31749907 10.1021/acsmedchemlett.9b00360 HCT-116 1
31749907 10.1021/acsmedchemlett.9b00360 A498 1
31749907 10.1021/acsmedchemlett.9b00360 HeLa 1
31749907 10.1021/acsmedchemlett.9b00360 IMR-90 1

Data from ChEMBL 36 via Core Engine