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Compound Detail

CHEMBL601929

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CN1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601929
Phase Preclinical
Structure Type MOL
InChI Key CQQCQRQIFMWQMH-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

605.2
MW (Da)
4.99
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37ClN6O2S
MW 605.21
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
20104850 10.1021/jm901084f Vasopressin V2 receptor 5
20104850 10.1021/jm901084f Vasopressin V1a receptor 4
20104850 10.1021/jm901084f Oxytocin receptor 3

Data from ChEMBL 36 via Core Engine