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Compound Detail

CHEMBL4596957

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C=CC(=O)Nc1ccc(CN2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596957
Phase Preclinical
Structure Type MOL
InChI Key RBIXFJAPAZPTDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

541.4
MW (Da)
4.49
ALogP
5
HBA
4
HBD
119.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26Cl2N6O3
MW 541.44
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.55

Data from ChEMBL 36 via Core Engine