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Compound Detail

CHEMBL4302388

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CC[N+](C)(CCCNP(=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302388
Phase Preclinical
Structure Type MOL
InChI Key QCRRXSVUBITDPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.5
MW (Da)
4.38
ALogP
6
HBA
1
HBD
102.5
PSA (Ų)
0.08
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H36Cl2N6O4P+
MW 550.45
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine