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Compound Detail

CHEMBL2140567

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O=C(OCc1ccccc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2140567
Phase Preclinical
Structure Type MOL
InChI Key TUVZAHBTROQQCR-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
5.12
ALogP
7
HBA
0
HBD
76.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N5O3
MW 479.54
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.64

Activity Summary

EC50 2 meas.

Data from ChEMBL 36 via Core Engine