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Compound Detail

CHEMBL198901

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N#C/C(=C\c1ccc(O)cc1)C(=O)NCCNC(=O)/C(C#N)=C/c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198901
Phase Preclinical
Structure Type MOL
InChI Key DTGFBXLIMHWSKD-JYFOCSDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
1.84
ALogP
6
HBA
4
HBD
146.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N4O4
MW 402.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
16302817 10.1021/jm040208l Dynamin-1 1

Data from ChEMBL 36 via Core Engine