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Compound Detail

CHEMBL4289927

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CC(c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4289927
Phase Preclinical
Structure Type MOL
InChI Key HMNCIPXJIYDWKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
3.56
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N3O4
MW 439.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 1
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine