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Compound Detail

CHEMBL1190879

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CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(-n5cncn5)cc(C)nc34)c2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190879
Phase Preclinical
Structure Type MOL
InChI Key QTPRXDBCXGRWSB-NTEUORMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

658.5
MW (Da)
5.16
ALogP
8
HBA
2
HBD
131.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H29Cl2N7O4
MW 658.55
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine