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Compound Detail

CHEMBL326209

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N=C(N)NCCC[C@H]1C(=O)N(C(=O)N2CCN(C(=O)CCCCCc3ccccc3)CC2)[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326209
Phase Preclinical
Structure Type MOL
InChI Key SRYPZDXBHVVNEL-CTNGQTDRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
1.23
ALogP
5
HBA
4
HBD
160.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N6O5
MW 500.60
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
12372541 10.1016/s0960-894x(02)00689-3 Unchecked 5
12372541 10.1016/s0960-894x(02)00689-3 Tryptase 1

Data from ChEMBL 36 via Core Engine