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Compound Detail

CHEMBL2024107

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COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2024107
Phase Preclinical
Structure Type MOL
InChI Key GBMDCLKOZOHTBK-VGOFRKELSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
2.50
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O4
MW 405.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
22204607 10.1021/jm201422e cGMP-specific 3',5'-cyclic phosphodiesterase 1
22204607 10.1021/jm201422e Plasmodium falciparum 1
22204607 10.1021/jm201422e MRC5 1
22204607 10.1021/jm201422e ADMET 1

Data from ChEMBL 36 via Core Engine