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Compound Detail

CHEMBL428458

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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CCC(=O)N1CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428458
Phase Preclinical
Structure Type MOL
InChI Key BYRKNLXXFYKEET-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

533.6
MW (Da)
3.51
ALogP
5
HBA
4
HBD
132.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35N5O5
MW 533.63
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
18499453 10.1016/j.bmcl.2008.04.065 Procathepsin L 1

Data from ChEMBL 36 via Core Engine