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Compound Detail

CHEMBL111630

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N=C(N)N1CCCC(C[C@H]2C(=O)N(C(=O)N3CCN(C(=O)OCCCOc4ccccc4)CC3)[C@@H]2C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111630
Phase Preclinical
Structure Type MOL
InChI Key BXBSAWMXVBQUSF-HBYOEVMUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

544.6
MW (Da)
1.24
ALogP
7
HBA
3
HBD
169.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N6O7
MW 544.61
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness -0.22

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