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Compound Detail

CHEMBL1195281

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CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195281
Phase Preclinical
Structure Type MOL
InChI Key PVJZZAFFNLCXKU-NTEUORMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

592.5
MW (Da)
4.98
ALogP
6
HBA
2
HBD
113.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27Cl2N5O4
MW 592.48
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine