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Compound Detail

CHEMBL3581908

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N=C(N)NCCC[C@H](NC(=O)C1CSSC1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581908
Phase Preclinical
Structure Type MOL
InChI Key RITXHUYDBJGUSD-ZETCQYMHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
-0.17
ALogP
5
HBA
5
HBD
128.3
PSA (Ų)
0.19
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 C10H18N4O3S2
MW 306.41
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.52

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25922884 10.1021/acs.jnatprod.5b00092 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine