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Compound Detail

CHEMBL3827100

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CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827100
Phase Preclinical
Structure Type MOL
InChI Key ZYIRZDQGNRLPAY-HVTWWXFQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

669.8
MW (Da)
-4.20
ALogP
10
HBA
12
HBD
325.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H51N11O8
MW 669.79
Aromatic Rings 0
Heavy Atoms 47
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
27407033 10.1016/j.bmc.2016.06.042 Disintegrin and metalloproteinase domain-containing protein 8 1

Data from ChEMBL 36 via Core Engine