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Compound Detail

CHEMBL4301854

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O=P(O)(O)OCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301854
Phase Preclinical
Structure Type MOL
InChI Key ZQIWLXUCLLLBMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.3
MW (Da)
4.41
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24Cl2NO6P
MW 488.30
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine