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Compound Detail

CHEMBL21368

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O=C(CI)N[C@@H]1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL21368
Phase Preclinical
Structure Type MOL
InChI Key SRZBZWMDTZKTDO-NSRVUPHJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

510.4
MW (Da)
1.88
ALogP
5
HBA
3
HBD
82.0
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 C22H27IN2O4
MW 510.37
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.17

Literature References

PubMed DOI Target Context # Activities
6310111 10.1021/jm00363a005 Cavia porcellus 7
6310111 10.1021/jm00363a005 Mus musculus 3

Data from ChEMBL 36 via Core Engine