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Compound Detail

CHEMBL564096

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C=C(F)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)c3)n(C)c2)n(C)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL564096
Phase Preclinical
Structure Type MOL
InChI Key HREKBKKTOSQIMR-UHFFFAOYSA-N
Parent Compound CHEMBL1197253
Active Moiety CHEMBL1197253
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

525.5
MW (Da)
1.68
ALogP
8
HBA
6
HBD
181.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29ClFN9O4
MW 562.01
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
15115402 10.1021/jm031051k L1210 2
10866397 10.1016/s0960-894x(00)00204-3 Mus musculus 2
15115402 10.1021/jm031051k Mus musculus 1
10866397 10.1016/s0960-894x(00)00204-3 L1210 1

Data from ChEMBL 36 via Core Engine