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Compound Detail

CHEMBL29368

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O=C(c1ccc2oc(-c3cc(Cn4cc(C(F)(F)F)ccc4=O)ccn3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29368
Phase Preclinical
Structure Type MOL
InChI Key VUIRWRNDQMSGNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

628.6
MW (Da)
6.49
ALogP
7
HBA
0
HBD
97.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H27F3N4O5
MW 628.61
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
11992787 10.1016/s0960-894x(02)00160-9 Oxytocin receptor 1
11992787 10.1016/s0960-894x(02)00160-9 Albumin 1

Data from ChEMBL 36 via Core Engine