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Compound Detail

CHEMBL539768

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Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(NCCCl)cc4)cn3C)cn2C)cc1C(=O)NCCC(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539768
Phase Preclinical
Structure Type MOL
InChI Key CMRQKLAZJKRNNU-UHFFFAOYSA-N
Parent Compound CHEMBL100283
Active Moiety CHEMBL100283
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

635.1
MW (Da)
3.17
ALogP
9
HBA
7
HBD
193.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36Cl2N10O4
MW 671.59
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
10937717 10.1016/s0960-894x(00)00295-x L1210 1

Data from ChEMBL 36 via Core Engine