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Compound Detail

CHEMBL1183923

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CC[N+](C)(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183923
Phase Preclinical
Structure Type MOL
InChI Key PKKMIHJGXZABIL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

527.5
MW (Da)
5.91
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30Cl2N5O2+
MW 527.48
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine