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Compound Detail

CHEMBL29986

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CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1Cc1ccc(NC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29986
Phase Preclinical
Structure Type MOL
InChI Key CHCCGVXFROEPOZ-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
1.22
ALogP
4
HBA
3
HBD
78.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N3O3S
MW 349.46
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
10212120 10.1021/jm980475p Interstitial collagenase 1
10212120 10.1021/jm980475p Matrix metalloproteinase-9 1
10212120 10.1021/jm980475p Unchecked 1

Data from ChEMBL 36 via Core Engine