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Compound Detail

CHEMBL1618415

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C[n+]1c2cc(Cl)ccc2c(NC2CCNCC2)c2[nH]c3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618415
Phase Preclinical
Structure Type MOL
InChI Key PMHXHEPIARLWRL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.9
MW (Da)
4.12
ALogP
2
HBA
3
HBD
43.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN4+
MW 365.89
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine