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Compound Detail

CHEMBL542318

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C=C(F)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542318
Phase Preclinical
Structure Type MOL
InChI Key ANMYYQWZNNZCRF-UHFFFAOYSA-N
Parent Compound CHEMBL1191245
Active Moiety CHEMBL1191245
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

647.7
MW (Da)
2.28
ALogP
10
HBA
7
HBD
215.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35ClFN11O5
MW 684.13
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.41

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
12031321 10.1016/s0960-894x(02)00177-4 L1210 1
12031321 10.1016/s0960-894x(02)00177-4 Mus musculus 1
10866397 10.1016/s0960-894x(00)00204-3 L1210 1

Data from ChEMBL 36 via Core Engine