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Compound Detail

CHEMBL2064553

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COc1ccc(S(=O)(=O)N(Cc2cn(CCOCCOCCOCCn3cc(CN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c4ccc(OC)cc4)nn3)nn2)[C@@H](C(=O)NO)C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2064553
Phase Preclinical
Structure Type MOL
InChI Key YWHKQQSHVPCBRN-LQFQNGICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

925.1
MW (Da)
1.08
ALogP
19
HBA
4
HBD
281.0
PSA (Ų)
0.04
QED
2
Ro5 Violations
28
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H56N10O13S2
MW 925.06
Aromatic Rings 4
Heavy Atoms 63
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
22540974 10.1021/jm300199g 72 kDa type IV collagenase 1
22540974 10.1021/jm300199g Neutrophil collagenase 1
22540974 10.1021/jm300199g Matrix metalloproteinase-9 1
22540974 10.1021/jm300199g Collagenase 3 1

Data from ChEMBL 36 via Core Engine