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Compound Detail

CHEMBL1208007

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CCn1c2ccccc2c2cc(CCCC(P(=O)(O)O)S(=O)(=O)O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208007
Phase Preclinical
Structure Type MOL
InChI Key ZZMVEURNXXVJQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
3.53
ALogP
4
HBA
3
HBD
116.8
PSA (Ų)
0.40
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 C18H22NO6PS
MW 411.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine