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Compound Detail

CHEMBL401607

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N=C(N)NCCC[C@@H]1NC(=O)C(Cc2c[nH]c3cc(Br)ccc23)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401607
Phase Preclinical
Structure Type MOL
InChI Key HVWYYWIRLPBRTO-NBFOIZRFSA-N

Known Names

6-bromotryptophanarginine
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

421.3
MW (Da)
0.72
ALogP
3
HBA
6
HBD
135.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H21BrN6O2
MW 421.30
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.58

Activity Summary

EC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amphibalanus improvisus
CHEMBL613909
 EC50 5.1 5.1 7900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amphibalanus improvisus EC50 = 7900.0 nM 5.1 Antifouling activity in Balanus improvisus assessed as inhibition of cyprid larv... 18271554

Literature References

PubMed DOI Target Context # Activities
18271554 10.1021/np0705209 Amphibalanus improvisus 1
18271554 10.1021/np0705209 5-hydroxytryptamine receptor 4 1

Data from ChEMBL 36 via Core Engine