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Compound Detail

CHEMBL4115998

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O=c1[nH]c(=S)c(C(c2ccccc2)c2ccccc2)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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4115998
Phase Preclinical
Structure Type MOL
InChI Key QPWVMABGQFXFSZ-XLBJILASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

733.4
MW (Da)
3.29
ALogP
11
HBA
7
HBD
238.1
PSA (Ų)
0.09
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25Cl2N2O13P3S
MW 733.35
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness 0.58

Data from ChEMBL 36 via Core Engine