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Compound Detail

CHEMBL301057

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Cc1c(F)c(NCCCN2CCCC2=O)nc(Oc2cccc(C(=N)N)c2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301057
Phase Preclinical
Structure Type MOL
InChI Key RWUDPDMMTUNSRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
3.17
ALogP
5
HBA
3
HBD
104.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23F2N5O2
MW 403.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
9873451 10.1016/s0960-894x(98)00333-3 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine