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Compound Detail

CHEMBL4295028

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COc1ccc(C(=O)Nc2ccc(Cl)cc2C(NCC(=O)NN)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4295028
Phase Preclinical
Structure Type MOL
InChI Key ZUUPXPJEFRPYDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

438.9
MW (Da)
3.27
ALogP
5
HBA
4
HBD
105.5
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23ClN4O3
MW 438.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.41

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