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Compound Detail

CHEMBL64170

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Cc1ccc(-c2c3nc(c(-c4ccc(C[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C[N+](C)(C)C)cc4)c4nc2C=C4)C=C3)cc1.[Cl-].[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64170
Phase Preclinical
Structure Type MOL
InChI Key LOSJCAJJGFTZNC-MFKHUBGVSA-L
Parent Compound CHEMBL1179192
Active Moiety CHEMBL1179192
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

787.1
MW (Da)
12.35
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H54Cl2N6
MW 857.97
Aromatic Rings 7
Heavy Atoms 60
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
12747777 10.1021/jm021060d NON-PROTEIN TARGET 3
12747777 10.1021/jm021060d Unchecked 2
12747777 10.1021/jm021060d ADMET 1

Data from ChEMBL 36 via Core Engine