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Compound Detail

CHEMBL5279938

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CCN(CC)c1ccc(C2=NNC(=O)CC2C)cc1NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5279938
Phase Preclinical
Structure Type MOL
InChI Key KBDVEIKNQIQFGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.35
ALogP
4
HBA
2
HBD
73.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N4O2
MW 316.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
31749907 10.1021/acsmedchemlett.9b00360 A498 1
31749907 10.1021/acsmedchemlett.9b00360 HeLa 1

Data from ChEMBL 36 via Core Engine