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Compound Detail

CHEMBL1199209

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Nc1nc(-n2cc(C3CC3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199209
Phase Preclinical
Structure Type MOL
InChI Key KOQYVQNBKJVDPM-VGKBRBPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

573.5
MW (Da)
-1.12
ALogP
16
HBA
5
HBD
242.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N9O8S
MW 573.55
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine