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Compound Detail

CHEMBL110617

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CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc2cc(F)c(F)cc2c1)[C@H](O)C(=O)NO)C(N)=O

Basic Information

ChEMBL ID CHEMBL110617
Phase Preclinical
Structure Type MOL
InChI Key GPIRSWQBXHWGSJ-XOKHGSTOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
1.16
ALogP
5
HBA
5
HBD
141.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25F2N3O5
MW 437.44
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
10560745 10.1016/s0960-894x(99)00552-1 Low affinity immunoglobulin epsilon Fc receptor 1
10560745 10.1016/s0960-894x(99)00552-1 Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine