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Compound Detail

CHEMBL1094262

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O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3Br)N2C(=O)CN1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094262
Phase Preclinical
Structure Type MOL
InChI Key UJSPLYGHRKDZNE-OZXSUGGESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

500.4
MW (Da)
4.82
ALogP
2
HBA
1
HBD
56.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22BrN3O2
MW 500.40
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
20206015 10.1016/j.ejmech.2009.10.046 cGMP-specific 3',5'-cyclic phosphodiesterase 2
20206015 10.1016/j.ejmech.2009.10.046 HT-29 2

Data from ChEMBL 36 via Core Engine