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Compound Detail

CHEMBL1205889

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CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCN=C(S)Nc4ccc(S(=O)(=O)O)cc4)cc3)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205889
Phase Preclinical
Structure Type MOL
InChI Key GRRWARGSBBOJEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

643.8
MW (Da)
2.51
ALogP
10
HBA
5
HBD
189.8
PSA (Ų)
0.05
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N7O7S2
MW 643.75
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -1.22

Data from ChEMBL 36 via Core Engine