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Compound Detail

CHEMBL5272626

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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5272626
Phase Preclinical
Structure Type MOL
InChI Key DCUHHVKECIANKK-QKDODKLFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

617.7
MW (Da)
1.09
ALogP
6
HBA
8
HBD
211.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H39N7O6
MW 617.71
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27021004 10.1016/j.bmc.2016.03.018 Unchecked 1

Data from ChEMBL 36 via Core Engine