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Compound Detail

CHEMBL2143465

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O=C(c1ccsc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2143465
Phase Preclinical
Structure Type MOL
InChI Key OKPQSTQHIJZSEL-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
4.68
ALogP
7
HBA
0
HBD
66.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N5O2S
MW 455.54
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -2.34

Activity Summary

EC50 2 meas.

Data from ChEMBL 36 via Core Engine