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Compound Detail

CHEMBL100246

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N=C(N)NCCCCC(=O)NCC(=O)NCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100246
Phase Preclinical
Structure Type MOL
InChI Key IQDVLYGTXJSNER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
-1.65
ALogP
4
HBA
6
HBD
157.4
PSA (Ų)
0.16
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H21N5O4
MW 287.32
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
11738566 10.1016/s0960-894x(01)00687-4 Integrin alpha-V/beta-3 1
11738566 10.1016/s0960-894x(01)00687-4 Integrin alpha-IIb/beta-3 1

Data from ChEMBL 36 via Core Engine