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Compound Detail

CHEMBL5202610

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N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1[C@@H](O)[C@@H]1CCCN1C(=O)CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NCCC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202610
Phase Preclinical
Structure Type MOL
InChI Key UHNFOGWZTKRPGW-IKIDTFQCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

853.9
MW (Da)
4.80
ALogP
7
HBA
7
HBD
210.1
PSA (Ų)
0.06
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H58Cl2N8O6
MW 853.89
Aromatic Rings 2
Heavy Atoms 59
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
35707140 10.1021/acsmedchemlett.2c00094 Neutrophil cytosol factor 1 1

Data from ChEMBL 36 via Core Engine