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Compound Detail

CHEMBL3897460

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NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1

Basic Information

ChEMBL ID CHEMBL3897460
Phase Preclinical
Structure Type BOTH
InChI Key XWGGJYLYJYPILB-ULQDDVLXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
-0.05
ALogP
4
HBA
4
HBD
137.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O4
MW 411.46
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.39

Activity Summary

Ki 1 meas.

Data from ChEMBL 36 via Core Engine