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Compound Detail

CHEMBL140413

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CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CC[C@H](C)CC2C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140413
Phase Preclinical
Structure Type MOL
InChI Key KXNPVXPOPUZYGB-JWFMREHNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
0.70
ALogP
6
HBA
5
HBD
180.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H36N6O5S
MW 508.65
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
29701962 10.1021/acs.jmedchem.7b01698 Serine protease hepsin 1
29701962 10.1021/acs.jmedchem.7b01698 Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine