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Compound Detail

CHEMBL54842

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O=C(O)CCNC(=O)c1ccc2c(c1)C(=O)C(CCC1CCNCC1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL54842
Phase Preclinical
Structure Type MOL
InChI Key USRRTACDGWUQNM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.03
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O4
MW 358.44
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80381-4 Integrin alpha-IIb/beta-3 1

Data from ChEMBL 36 via Core Engine