Details of the Drug

General Information of Drug (ID: DM704TL)

Drug Name

SB-207043

Synonyms

SB-207043; CHEMBL606910

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 4

Molecular Weight (mw)

1012.3

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

21

Hydrogen Bond Donor Count (hbonddonor)

8

Hydrogen Bond Acceptor Count (hbondacc)

13

Chemical Identifiers

Formula: C47H69N11O10S2
Canonical SMILES: CC1(CC(CC(N1[O])(C)C)NC(=O)CSC2=CC=CC=C2C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](C(=O)NC3=CC=CC=C3SCC(=O)NC4CC(N(C(C4)(C)C)[O])(C)C)C(=O)O)C
InChI: InChI=1S/C47H69N11O10S2/c1-44(2)21-28(22-45(3,4)57(44)67)52-36(60)26-69-33-18-12-10-15-30(33)41(64)56(9)32(17-14-20-50-43(48)49)39(62)51-25-35(59)55-38(42(65)66)40(63)54-31-16-11-13-19-34(31)70-27-37(61)53-29-23-46(5,6)58(68)47(7,8)24-29/h10-13,15-16,18-19,28-29,32,38H,14,17,20-27H2,1-9H3,(H,51,62)(H,52,60)(H,53,61)(H,54,63)(H,55,59)(H,65,66)(H4,48,49,50)/t32-,38+/m0/s1
InChIKey: GUCPTRJTGNVVHA-SCAVLVJOSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
ITGB3 messenger RNA (ITGB3 mRNA)	DTT	ITGB3	6.94E-01	-0.02	-0.17

Molecular Expression Atlas (MEA)

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References

1	Preparation and Properties of a fibrinogen receptor antagonist containing the Arg-Gly-Asp sequence and nitroxide radicals, Bioorg. Med. Chem. Lett. 3(6):1179-1184 (1993).