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Compound Detail

CHEMBL2164123

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Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nc(NCCc4cccc5ccccc45)nc(N[C@H]4CCCCNC4=O)n3)C2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164123
Phase Preclinical
Structure Type MOL
InChI Key NMCKQHPCFWENLV-YWEHKCAJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

632.8
MW (Da)
3.76
ALogP
9
HBA
4
HBD
141.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37FN8O3S
MW 632.77
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
22891645 10.1021/jm300449x A disintegrin and metalloproteinase with thrombospondin motifs 5 1

Data from ChEMBL 36 via Core Engine