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Compound Detail

CHEMBL89015

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Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(OCCCCCCN2CCN(C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89015
Phase Preclinical
Structure Type MOL
InChI Key RBPYUFYXKFQOOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.7
MW (Da)
6.10
ALogP
6
HBA
0
HBD
46.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H39N5O
MW 509.70
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
12036368 10.1021/jm010544r Vasopressin V1a receptor 1

Data from ChEMBL 36 via Core Engine