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Compound Detail

CHEMBL77104

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CCNC(=O)N1CCN(C(=O)NCc2ccc(NC(=N)N)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77104
Phase Preclinical
Structure Type MOL
InChI Key ILODFWDAQAEWBN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
0.55
ALogP
3
HBA
5
HBD
126.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N7O2
MW 347.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.25

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11527724 10.1016/s0960-894x(01)00444-9 Tryptase beta-1 1
11527724 10.1016/s0960-894x(01)00444-9 Unchecked 1

Data from ChEMBL 36 via Core Engine