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Compound Detail

CHEMBL4117999

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O=c1[nH]c(=S)c(C2c3ccccc3C=Cc3ccccc32)cn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL4117999
Phase Preclinical
Structure Type MOL
InChI Key OHDQNBFPYLCXDA-KTDPBYDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

757.4
MW (Da)
3.77
ALogP
11
HBA
7
HBD
238.1
PSA (Ų)
0.07
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25Cl2N2O13P3S
MW 757.37
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness 0.67

Data from ChEMBL 36 via Core Engine